MiMeDB: Showing metabocard for Quercetin (MMDBc0031154)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:37:31 UTC

Update Date

2024-09-27 19:51:06 UTC

Metabolite ID

MMDBc0031154

Metabolite Identification

Common Name

Quercetin

Description

Quercetin is a flavonoid widely distributed in many plants and fruits including red grapes, citrus fruit, tomato, broccoli and other leafy green vegetables, and a number of berries, including raspberries and cranberries. In E. coli it is metabolized by Quercetin 2,3-dioxygenase. This enzyme catalyzes the reaction Quercetin + O2 = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H+. Quercetin is not a normal growth substrate for E. coli but it is found in high levels in the human gut. This enzyme may have evolved to break down quercitin to prevent its inhibition of key E. coli proteins, such as DNA gyrase.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0005794
     RDKit          3D
Quercetin
 32 34  0  0  0  0  0  0  0  0999 V2000
   -2.1438   -2.7699    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6502   -1.6281    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632   -1.4898    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600   -2.6475    0.0344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183   -0.2701    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -0.0580   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    1.2477   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920    1.5188   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    0.4855   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880    0.7308   -0.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0712   -0.7933   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700   -1.8514   -0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001   -1.0388   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799    0.8110    0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    0.7265    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5382    1.9159    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9084    1.8995    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6433    3.0762    0.1734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5193    0.6761    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7965   -0.5355    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4588   -1.7191    0.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4191   -0.4987    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256   -3.5468    0.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    2.0490   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9894    2.5404   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2577    1.6902   -0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6616   -2.8016   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205   -2.0736   -0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0210    2.8540    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8970    3.5417    1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6131    0.6100    0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2878   -2.6512    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22  2  1  0
 13  6  1  0
 22 15  1  0
  4 23  1  0
  7 24  1  0
  8 25  1  0
 10 26  1  0
 12 27  1  0
 13 28  1  0
 16 29  1  0
 18 30  1  0
 19 31  1  0
 21 32  1  0
M  END


  Mrv1652309272007442D          

 22 24  0  0  0  0            999 V2000
 9999.6614 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0876 9998.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.805210002.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.232110001.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2367 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.807810000.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.236710000.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5222 9999.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5221 9998.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2366 9998.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710001.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.803210001.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088710001.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088610000.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8031 9999.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710000.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.662310000.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9999.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9998.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6623 9998.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3768 9998.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3768 9999.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8  6  1  0  0  0  0
 10  5  1  0  0  0  0
 12  3  1  0  0  0  0
 11  4  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
  1 20  2  0  0  0  0
 22 14  1  0  0  0  0
 21  2  1  0  0  0  0
 18  7  2  0  0  0  0
 10 19  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0031154

> <DATABASE_NAME>
MIME

> <SMILES>
OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H

> <INCHI_KEY>
REFJWTPEDVJJIY-UHFFFAOYSA-N

> <FORMULA>
C15H10O7

> <MOLECULAR_WEIGHT>
302.2357

> <EXACT_MASS>
302.042652674

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
28.535207697849263

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one

> <ALOGPS_LOGP>
1.81

> <JCHEM_LOGP>
2.156299464

> <ALOGPS_LOGS>
-3.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.848394398897066

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.379031589669055

> <JCHEM_PKA_STRONGEST_BASIC>
-3.98964468301513

> <JCHEM_POLAR_SURFACE_AREA>
127.45000000000002

> <JCHEM_REFRACTIVITY>
76.8622

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.61e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
quercetin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0005794
     RDKit          3D
Quercetin
 32 34  0  0  0  0  0  0  0  0999 V2000
   -2.1438   -2.7699    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6502   -1.6281    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632   -1.4898    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600   -2.6475    0.0344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183   -0.2701    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -0.0580   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    1.2477   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920    1.5188   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    0.4855   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880    0.7308   -0.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0712   -0.7933   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700   -1.8514   -0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001   -1.0388   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799    0.8110    0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    0.7265    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5382    1.9159    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9084    1.8995    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6433    3.0762    0.1734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5193    0.6761    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7965   -0.5355    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4588   -1.7191    0.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4191   -0.4987    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256   -3.5468    0.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    2.0490   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9894    2.5404   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2577    1.6902   -0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6616   -2.8016   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205   -2.0736   -0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0210    2.8540    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8970    3.5417    1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6131    0.6100    0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2878   -2.6512    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22  2  1  0
 13  6  1  0
 22 15  1  0
  4 23  1  0
  7 24  1  0
  8 25  1  0
 10 26  1  0
 12 27  1  0
 13 28  1  0
 16 29  1  0
 18 30  1  0
 19 31  1  0
 21 32  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  O   UNK     0    8666.0358662.387   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8668.6978663.934   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8670.0368670.872   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8672.7008669.332   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8663.3758662.387   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8660.7088667.026   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8663.3758667.018   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8662.0418666.248   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8662.0418664.708   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8663.3758663.938   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8671.3668668.565   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8670.0338669.335   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8668.6998668.565   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8668.6998667.025   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8670.0328666.255   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8671.3668667.025   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    8666.0368667.018   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0    8664.7038666.248   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8664.7038664.708   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8666.0368663.938   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8667.3708664.708   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8667.3708666.248   0.000  0.00  0.00           C+0
CONECT    1   20                                                            
CONECT    2   21                                                            
CONECT    3   12                                                            
CONECT    4   11                                                            
CONECT    5   10                                                            
CONECT    6    8                                                            
CONECT    7    8   18                                                       
CONECT    8    7    9    6                                                  
CONECT    9    8   10                                                       
CONECT   10    9    5   19                                                  
CONECT   11   12   16    4                                                  
CONECT   12   11   13    3                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   11                                                       
CONECT   17   18   22                                                       
CONECT   18   19   17    7                                                  
CONECT   19   18   20   10                                                  
CONECT   20   19   21    1                                                  
CONECT   21   20   22    2                                                  
CONECT   22   21   17   14                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

COMPND    HMDB0005794
HETATM    1  O1  UNL     1      -2.144  -2.770   0.133  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.650  -1.628   0.104  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.263  -1.490   0.051  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.460  -2.648   0.034  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.318  -0.270   0.018  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.755  -0.058  -0.038  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.252   1.248  -0.068  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.592   1.519  -0.121  1.00  0.00           C  
HETATM    9  C7  UNL     1       4.518   0.485  -0.146  1.00  0.00           C  
HETATM   10  O3  UNL     1       5.888   0.731  -0.200  1.00  0.00           O  
HETATM   11  C8  UNL     1       4.071  -0.793  -0.118  1.00  0.00           C  
HETATM   12  O4  UNL     1       4.970  -1.851  -0.142  1.00  0.00           O  
HETATM   13  C9  UNL     1       2.700  -1.039  -0.064  1.00  0.00           C  
HETATM   14  O5  UNL     1      -0.480   0.811   0.038  1.00  0.00           O  
HETATM   15  C10 UNL     1      -1.786   0.727   0.088  1.00  0.00           C  
HETATM   16  C11 UNL     1      -2.538   1.916   0.105  1.00  0.00           C  
HETATM   17  C12 UNL     1      -3.908   1.900   0.157  1.00  0.00           C  
HETATM   18  O6  UNL     1      -4.643   3.076   0.173  1.00  0.00           O  
HETATM   19  C13 UNL     1      -4.519   0.676   0.191  1.00  0.00           C  
HETATM   20  C14 UNL     1      -3.796  -0.535   0.175  1.00  0.00           C  
HETATM   21  O7  UNL     1      -4.459  -1.719   0.210  1.00  0.00           O  
HETATM   22  C15 UNL     1      -2.419  -0.499   0.123  1.00  0.00           C  
HETATM   23  H1  UNL     1       0.026  -3.547   0.059  1.00  0.00           H  
HETATM   24  H2  UNL     1       1.545   2.049  -0.049  1.00  0.00           H  
HETATM   25  H3  UNL     1       3.989   2.540  -0.145  1.00  0.00           H  
HETATM   26  H4  UNL     1       6.258   1.690  -0.223  1.00  0.00           H  
HETATM   27  H5  UNL     1       4.662  -2.802  -0.122  1.00  0.00           H  
HETATM   28  H6  UNL     1       2.420  -2.074  -0.045  1.00  0.00           H  
HETATM   29  H7  UNL     1      -2.021   2.854   0.077  1.00  0.00           H  
HETATM   30  H8  UNL     1      -4.897   3.542   1.035  1.00  0.00           H  
HETATM   31  H9  UNL     1      -5.613   0.610   0.232  1.00  0.00           H  
HETATM   32  H10 UNL     1      -4.288  -2.651   0.212  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   22
CONECT    3    4    5    5
CONECT    4   23
CONECT    5    6   14
CONECT    6    7    7   13
CONECT    7    8   24
CONECT    8    9    9   25
CONECT    9   10   11
CONECT   10   26
CONECT   11   12   13   13
CONECT   12   27
CONECT   13   28
CONECT   14   15
CONECT   15   16   16   22
CONECT   16   17   29
CONECT   17   18   19   19
CONECT   18   30
CONECT   19   20   31
CONECT   20   21   22   22
CONECT   21   32
END

HMDB0005794
     RDKit          3D
Quercetin
 32 34  0  0  0  0  0  0  0  0999 V2000
   -2.1438   -2.7699    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6502   -1.6281    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632   -1.4898    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600   -2.6475    0.0344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183   -0.2701    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -0.0580   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    1.2477   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920    1.5188   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    0.4855   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880    0.7308   -0.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0712   -0.7933   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700   -1.8514   -0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001   -1.0388   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799    0.8110    0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    0.7265    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5382    1.9159    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9084    1.8995    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6433    3.0762    0.1734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5193    0.6761    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7965   -0.5355    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4588   -1.7191    0.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4191   -0.4987    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256   -3.5468    0.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    2.0490   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9894    2.5404   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2577    1.6902   -0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6616   -2.8016   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205   -2.0736   -0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0210    2.8540    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8970    3.5417    1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6131    0.6100    0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2878   -2.6512    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22  2  1  0
 13  6  1  0
 22 15  1  0
  4 23  1  0
  7 24  1  0
  8 25  1  0
 10 26  1  0
 12 27  1  0
 13 28  1  0
 16 29  1  0
 18 30  1  0
 19 31  1  0
 21 32  1  0
M  END

Synonyms

Value	Source
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one	ChEBI
3,3',4',5,7-Pentahydroxyflavone	ChEBI
3,5,7,3',4'-Pentahydroxyflavone	ChEBI
Sophoretin	ChEBI
Xanthaurine	ChEBI
3,3',4,5,7-Pentahydroxyflavone	Kegg
Dikvertin	MeSH
2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one	HMDB
3',4',5,7-Tetrahydroxyflavan-3-ol	HMDB
3',4',5,7-Tetrahydroxyflavon-3-ol	HMDB
3,4',5,5',7-Pentahydroxy-flavone	HMDB
3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-ON	HMDB
Flavin meletin	HMDB
Meletin	HMDB
Quercetin dihydrate	HMDB
Quercetol	HMDB
Quertin	HMDB
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one	PhytoBank
3,3’,4’,5,7-Pentahydroxyflavone	PhytoBank
3,5,7,3’,4’-Pentahydroxyflavone	PhytoBank
3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one	PhytoBank
3'-Hydroxykaempferol	PhytoBank
3’-Hydroxykaempferol	PhytoBank
Quercetine	PhytoBank
Quertine	PhytoBank

Molecular Formula

C₁₅H₁₀O₇

Average Mass

302.2357

Monoisotopic Mass

302.042652674

IUPAC Name

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one

Traditional Name

quercetin

CAS Registry Number

117-39-5

SMILES

OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1

InChI Identifier

InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H

InChI Key

REFJWTPEDVJJIY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavonols

Alternative Parents

Substituents

3-hydroxyflavone
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Chromone
Benzopyran
1-benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Benzenoid
Monocyclic benzene moiety
Pyran
Heteroaromatic compound
Vinylogous acid
Oxacycle
Organoheterocyclic compound
Polyol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

pentahydroxyflavone (CHEBI:16243 )
7-hydroxyflavonol (CHEBI:16243 )
flavonols (C00389 )
Flavones and Flavonols (C00389 )
Flavones and Flavonols (LMPK12110004 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.26 g/L	ALOGPS
logP	1.81	ALOGPS
logP	2.16	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	6.38	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	127.45 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	76.86 m³·mol⁻¹	ChemAxon
Polarizability	28.54 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-MS (5 TMS)	splash10-0bt9-2611390000-f8e98c928a7ed82acda4	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0bt9-2611390000-f8e98c928a7ed82acda4	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0079-0591000000-2a146657da898ec9322e	2017-07-27	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive	splash10-00l2-2093078000-1de46637305246feffd2	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0udi-0009000000-d4689b76f41c73487399	2012-07-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-0udi-0967000000-613e61ec0c69ed0ee630	2012-07-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-0uy0-5910000000-ee816015eec26c8621b1	2012-07-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 5V, Positive	splash10-0udi-0009000000-ec1cab852ed9f9f78fa4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0udi-1907000000-6f36df2733dadae380c2	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0udi-0309000000-976a99c106ceca16d73b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0pi0-1900000000-b2e286366d41e47dd8fc	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0udi-0209000000-e891863ec110aeb660b0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0udi-0940000000-aa52db00c1defe3ccf75	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0udi-0219000000-5ef285c4b6bfd220b8b1	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0udi-0219000000-547c83bb70e7da007d6c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0udi-1907000000-a59602c09f66e9656068	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITTOF (LCMS-IT-TOF) , Positive	splash10-0udi-0009000000-4416f39adf6c9b919bfa	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITTOF (LCMS-IT-TOF) , Negative	splash10-0udi-0019000000-eb14ec62fc2fb2f1da88	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITTOF (LCMS-IT-TOF) , Negative	splash10-0ufr-0910000000-0730bca525c17aac75c5	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 10V, Negative	splash10-004i-0030290000-06238e4a98a4daad3265	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF , Negative	splash10-0udi-0039008002-9df3edfb34deb15f8474	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 10V, Negative	splash10-0udi-0039008002-9df3edfb34deb15f8474	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 20V, Negative	splash10-0uka-0193000000-3325ca1a080730a9c0bf	2017-08-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0019000000-ee8570ac70818e8939bb	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0279000000-71b5db7ef8322cc8b9e9	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0zg0-7960000000-7edbb229853a642749ac	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0009000000-21580b9d8394d2eea3a5	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0239000000-b77fcb9c0ce11dc515bf	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0apr-5940000000-0590bdee504c5ed6ba36	2016-09-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, 100%_DMSO, experimental)		2012-12-05	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, DMSO, experimental)		2021-10-10	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, DMSO, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191942	Catechol O-methyltransferase	Unknown	P21964	Homo sapiens
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo sapiens
MMDBp0195641	NAD-dependent protein deacetylase sirtuin-1	Unknown	Q96EB6	Homo sapiens
MMDBp0196927	Pirin	Unknown	O00625
MMDBp0197061	Sulfotransferase 1A3	Enzyme	P0DMM9	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Diabetes mellitus type 2	Decreased	Association	Human Urine	HMDB	10694785

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	6	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Chicken	Unknown
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Unknown
Bacteria	Firmicutes	1	Human feces
Archaea/Archaea	Euryarchaeota	1
Bacteria	nah	1
Bacteria	Actinobacteria	3	Human ; Cattle

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Rhodophyta	FooDB	34893796
Animal		Eucheuma	FooDB	34893796
Food		Fagopyrum esculentum	FooDB	31154743
Food		Fagopyrum esculentum	FooDB	31154743
Food			FooDB	Phenol Explorer
Food		Coffea arabica	FooDB	Phenol Explorer
Food	Cocoa products	Theobroma cacao	FooDB	Phenol Explorer
Food		Coffea canephora	FooDB	Phenol Explorer
Food			FooDB	26675875
Food	Cocoa products	Theobroma cacao	FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	11032478
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food	Cocoa products	Theobroma cacao	FooDB	34893796
Plant		Brassica oleracea var. italica	FooDB	PhytoHub
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Solanum melongena	FooDB	34893796
Plant	Stem	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant		Cydonia oblonga	FooDB	34893796
Plant		Pisum sativum	FooDB	Phenol Explorer
Plant	Fruit	Empetrum nigrum	FooDB	34893796
Plant	Fruit	Malus pumila	FooDB	34893796
Plant	Fruit	Actinidia chinensis	FooDB	Phenol Explorer
Plant		Vaccinium	FooDB	34893796
Plant		Cichorium endivia	FooDB	34893796
Plant		Rorippa nasturtium-aquaticum	FooDB	Phenol Explorer
Plant	Fruit	Citrus x paradisi	FooDB	Phenol Explorer
Plant		Vaccinium	FooDB	34893796
Plant	Leaves	Pastinaca sativa	FooDB	DUKE
Plant		Sagittaria latifolia	FooDB	34893796
Plant	Seed	Daucus carota	FooDB	DUKE
Plant		Empetrum nigrum	FooDB	34893796
Plant		Tilia tomentosa	FooDB	Phenol Explorer
Plant		Solanum lycopersicum	FooDB	Manually Annotated
Plant	Fruit	Vaccinium angustifolium x vaccinium corymbosum	FooDB	Phenol Explorer
Plant	Juice	Citrus x paradisi	FooDB	Phenol Explorer
Plant	Fruit	Pyrus communis	FooDB	Phenol Explorer
Plant	Plant	Anethum graveolens	FooDB	DUKE
Plant	Plant	Borago officinalis	FooDB	DUKE
Plant	Fruit	Pyrus communis	FooDB	Phenol Explorer
Plant	Plant	Vaccinium corymbosum	FooDB	DUKE
Plant	Fruit	Vaccinium macrocarpon	FooDB	DUKE
Plant	Juice	Citrus x paradisi	FooDB	Phenol Explorer
Plant	Fruit	Malus pumila	FooDB	34893796
Plant	Fruit	Ribes nigrum	FooDB	34893796
Plant	Leaves	Armoracia rusticana	FooDB	DUKE
Plant		Annona muricata	FooDB	34893796
Plant		Cucurbita	FooDB	34893796
Plant		Apium graveolens	FooDB	34893796
Plant		Angelica keiskei	FooDB	Phenol Explorer
Plant		Cucurbita	FooDB	34893796
Plant	Flower	Moringa oleifera	FooDB	DUKE
Plant		Apium graveolens	FooDB	34893796
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Cuminum cyminum	FooDB	Phenol Explorer
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	Phenol Explorer
Plant	Fruit	Punica granatum	FooDB	DUKE
Plant		Hyssopus officinalis	FooDB	Phenol Explorer
Plant	Fruit	Coriandrum sativum	FooDB	DUKE
Plant	Fruit	Citrus limon	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium corymbosum	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant	Leaves	Laurus nobilis	FooDB	DUKE
Plant	Fruit	Rubus idaeus	FooDB	Phenol Explorer
Plant	Fruit	Prunus cerasus	FooDB	34893796
Plant	Fruit	Hippophae rhamnoides	FooDB	DUKE
Plant		Beta vulgaris ssp. cicla	FooDB	34893796
Plant	Fruit	Rubus idaeus	FooDB	Phenol Explorer
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Beta vulgaris ssp. cicla	FooDB	34893796
Plant	Fruit	Citrus sinensis	FooDB	DUKE
Plant		Pinus	FooDB	Phenol Explorer
Plant	Fruit	Malus pumila	FooDB	34893796
Plant	Fruit	Ribes nigrum	FooDB	Phenol Explorer
Plant		Beta vulgaris ssp. cicla	FooDB	34893796
Plant		Cocos nucifera	FooDB	34893796
Plant	Leaves	Juglans regia	FooDB	DUKE
Plant	Fruit	Prunus cerasus	FooDB	34893796
Plant		Petroselinum crispum	FooDB	Phenol Explorer
Plant		Vaccinium vitis-idaea	FooDB	34893796
Plant	Stalk	Apium graveolens var. dulce	FooDB	Phenol Explorer
Plant	Fruit	Capsicum annuum	FooDB	Phenol Explorer
Plant	Fruit	Capsicum annuum	FooDB	Phenol Explorer
Plant	Leaves	Brassica oleracea var. italica	FooDB	DUKE
Plant	Fruit	Capsicum annuum	FooDB	Phenol Explorer
Plant		Thymus vulgaris	FooDB	Phenol Explorer
Plant		Rubus	FooDB	PhytoHub
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	34893796
Plant	Fruit	Hippophae rhamnoides	FooDB	Phenol Explorer
Plant	Fruit	Prunus cerasus	FooDB	34893796
Plant		Spinacia oleracea	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium macrocarpon	FooDB	Phenol Explorer
Plant		Armoracia rusticana	FooDB	Phenol Explorer
Plant		Psidium guajava	FooDB	34893796
Plant		Fragaria x ananassa	FooDB	34893796
Plant		Psidium guajava	FooDB	34893796
Plant	Fruit	Rubus idaeus	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant		Thymus vulgaris	FooDB	Phenol Explorer
Plant		Fragaria x ananassa	FooDB	34893796
Plant		Solanum tuberosum	FooDB	34893796
Plant		Ipomoea aquatica	FooDB	34893796
Plant		Raphanus sativus	FooDB	34893796
Plant		Fragaria x ananassa	FooDB	34893796
Plant		Prunus dulcis	FooDB	34893796
Plant		Solanum tuberosum	FooDB	34893796
Plant	Fruit	Malus pumila	FooDB	Phenol Explorer
Plant		Allium sativum	FooDB	Manually Annotated
Plant		Raphanus sativus	FooDB	34893796
Plant	Fruit	Rubus idaeus	FooDB	Phenol Explorer
Plant		Solanum tuberosum	FooDB	34893796
Plant		Allium sativum	FooDB	Manually Annotated
Plant	Flower	Trigonella foenum-graecum	FooDB	DUKE
Plant		Illicium verum	FooDB	Phenol Explorer
Plant		Manihot esculenta	FooDB	34893796
Plant	Juice	Hippophae rhamnoides	FooDB	Phenol Explorer
Plant		Solanum tuberosum	FooDB	34893796
Plant		Solanum tuberosum	FooDB	34893796
Plant		Solanum tuberosum	FooDB	34893796
Plant	Fruit	Ficus carica	FooDB	Phenol Explorer
Plant	Juice	Malus pumila	FooDB	Phenol Explorer
Plant	Bark	Corylus avellana	FooDB	DUKE
Plant		Melissa officinalis	FooDB	Phenol Explorer
Plant		Solanum lycopersicum	FooDB	34893796
Plant		Morus nigra	FooDB	34893796
Plant	Fruit	Vaccinium macrocarpon	FooDB	34893796
Plant		Brassica ruvo	FooDB	34893796
Plant		Brassica oleracea var. italica	FooDB	9416471
Plant		Daucus carota	FooDB	34893796
Plant		Solanum lycopersicum	FooDB	34893796
Plant		Pinus edulis	FooDB	34893796
Plant		Brassica ruvo	FooDB	34893796
Plant	Plant	Prunus domestica	FooDB	DUKE
Plant		Solanum lycopersicum	FooDB	34893796
Plant		Allium sativum	FooDB	34893796
Plant		Melissa officinalis	FooDB	Phenol Explorer
Plant		Solanum lycopersicum	FooDB	34893796
Plant		Solanum lycopersicum	FooDB	34893796
Plant	Fruit	Punica granatum	FooDB	Phenol Explorer
Plant	Seed	Vigna radiata	FooDB	34893796
Plant		Foeniculum vulgare	FooDB	Phenol Explorer
Plant		Solanum lycopersicum	FooDB	34893796
Plant		Allium	FooDB	34893796
Plant		Allium cepa var. cepa	FooDB	Phenol Explorer
Plant		Solanum lycopersicum	FooDB	34893796
Plant	Leaves	Sambucus nigra	FooDB	DUKE
Plant	Fruit	Malus pumila	FooDB	Phenol Explorer
Plant		Allium cepa var. cepa	FooDB	Phenol Explorer
Plant		Pyrus communis	FooDB	34893796
Plant	Fruit	Citrus aurantiifolia	FooDB	Phenol Explorer
Plant		Solanum lycopersicum	FooDB	PhytoHub
Plant		Mentha spicata	FooDB	Phenol Explorer
Plant		Melissa officinalis	FooDB	34893796
Plant		Hippophae rhamnoides	FooDB	34893796
Plant	Fruit	Vaccinium corymbosum	FooDB	Phenol Explorer
Plant	Fruit	Rubus arcticus	FooDB	Phenol Explorer
Plant	Leaves	Foeniculum vulgare	FooDB	Phenol Explorer
Plant	Leaves	Apium graveolens var. secalinum	FooDB	Phenol Explorer
Plant		Arachis hypogaea	FooDB	34893796
Plant	Fruit	Vaccinium macrocarpon	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant		Laurus nobilis	FooDB	Phenol Explorer
Plant	Fruit	Rubus arcticus	FooDB	34893796
Plant	Fruit	Sambucus nigra	FooDB	Phenol Explorer
Plant	Nut	Arachis hypogaea	FooDB	Phenol Explorer
Plant	Juice	Malus pumila	FooDB	Phenol Explorer
Plant		Allium cepa var. cepa	FooDB	Phenol Explorer
Plant		Allium cepa var. cepa	FooDB	Phenol Explorer
Plant	Juice	Punica granatum	FooDB	Phenol Explorer
Plant	Flower	Taraxacum officinale	FooDB	DUKE
Plant	Fruit	Malus pumila	FooDB	34893796
Plant		Abelmoschus esculentus	FooDB	34893796
Plant		Moringa oleifera	FooDB	34893796
Plant		Origanum majorana	FooDB	Phenol Explorer
Plant		Corylus	FooDB	34893796
Plant	Fruit	Prunus armeniaca	FooDB	DUKE
Plant	Fruit	Phoenix dactylifera	FooDB	Phenol Explorer
Plant	Plant	Gossypium	FooDB	DUKE
Plant		Laurus nobilis	FooDB	34893796
Plant	Fruit	Prunus domestica	FooDB	Phenol Explorer
Plant	Fruit	Prunus domestica	FooDB	Phenol Explorer
Plant	Leaves	Artocarpus altilis	FooDB	DUKE
Plant	Fruit	Vaccinium angustifolium	FooDB	Phenol Explorer
Plant	Leaves	Juglans nigra	FooDB	DUKE
Plant		Allium cepa var. cepa	FooDB	Phenol Explorer
Plant	Root	Zingiber officinale	FooDB	Phenol Explorer
Plant		Brassica oleracea	FooDB	Phenol Explorer
Plant		Rosmarinus officinalis	FooDB	Phenol Explorer
Plant	Root	Ipomoea batatas	FooDB	DUKE
Plant		Allium cepa var. cepa	FooDB	Phenol Explorer
Plant	Nut	Corylus avellana	FooDB	Phenol Explorer
Plant		Eruca vesicaria ssp. sativa	FooDB	34893796
Plant	Fruit	Vaccinium corymbosum	FooDB	Phenol Explorer
Plant		Eruca vesicaria ssp. sativa	FooDB	34893796
Plant		Pastinaca sativa	FooDB	Phenol Explorer
Plant		Brassica oleracea	FooDB	Phenol Explorer
Plant		Mangifera indica	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Petroselinum crispum	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Rorippa nasturtium-aquaticum	FooDB	34893796
Plant	Root	Daucus carota ssp. sativus	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Rorippa nasturtium-aquaticum	FooDB	34893796
Plant	Fruit	Malus pumila	FooDB	34893796
Plant	Bulb	Allium sativum l. var. sativum	FooDB	DUKE
Plant	Tea		FooDB	34893796
Plant	Plant	Matricaria recutita	FooDB	DUKE
Plant	Shoot	Glycine max	FooDB	DUKE
Plant	Fruit	Citrus sinensis	FooDB	Phenol Explorer
Plant	Leaves	Persea americana	FooDB	DUKE
Plant	Fruit	Ribes nigrum	FooDB	DUKE
Plant		Ribes nigrum	FooDB	34893796
Plant		Brassica juncea	FooDB	34893796
Plant		Brassica oleracea	FooDB	Phenol Explorer
Plant	Fruit	Prunus domestica	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Thymus vulgaris	FooDB	34893796
Plant		Pistacia vera	FooDB	Phenol Explorer
Plant		Ribes nigrum	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant	Fruit	Vaccinium corymbosum	FooDB	Sellappan S, Akoh CC, Krewer G. Phenolic Compounds and Antioxidant Capacity of Georgia-Grown Blueberries and Blackberries. 2002. J. Agric. Food Chem. 2002, 50, 2432-2438
Plant		Allium cepa var. cepa	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Allium cepa var. cepa	FooDB	34893796
Plant	Plant	Cichorium intybus	FooDB	DUKE
Plant	Tea		FooDB	34893796
Plant		Petroselinum crispum	FooDB	34893796
Plant	Fruit	Persea americana	FooDB	F. W. Knapp. Some Characteristics of Eggplant and Avocado Poiyphenolases. J. Food Science. 30(6), 930-936, 1965
Plant		Actinidia chinensis	FooDB	34893796
Plant		Zingiber officinale	FooDB	34893796
Plant	Root	Beta vulgaris var. rubra	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant	Fruit	Phoenix dactylifera	FooDB	34893796
Plant	Fruit	Malus pumila	FooDB	Phenol Explorer
Plant		Actinidia chinensis	FooDB	34893796
Plant		Zingiber officinale	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant	Fruit	Prunus cerasus	FooDB	DUKE
Plant		Pisum sativum	FooDB	34893796
Plant	Fruit	Malus pumila	FooDB	Phenol Explorer
Plant		Brassica oleracea	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Pisum sativum	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Pisum sativum	FooDB	34893796
Plant		Origanum majorana	FooDB	34893796
Plant	Shoot	Asparagus officinalis	FooDB	Phenol Explorer
Plant		Pisum sativum	FooDB	34893796
Plant		Medicago sativa	FooDB	34893796
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant	Fruit	Ribes rubrum	FooDB	34893796
Plant	Fruit	Malus pumila	FooDB	34893796
Plant		Spinacia oleracea	FooDB	34893796
Plant	Tea		FooDB	PhytoHub
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant	Fruit	Prunus armeniaca	FooDB	Phenol Explorer
Plant		Spinacia oleracea	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Vigna unguiculata	FooDB	34893796
Plant	Fruit	Solanum lycopersicum var. cerasiforme	FooDB	Phenol Explorer
Plant	Juice	Citrus sinensis	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Vigna unguiculata	FooDB	34893796
Plant	Fruit	Solanum lycopersicum var. cerasiforme	FooDB	Phenol Explorer
Plant	Juice	Citrus sinensis	FooDB	Phenol Explorer
Plant		Cynara scolymus	FooDB	34893796
Plant	Fruit	Ananas comosus	FooDB	Phenol Explorer
Plant		Agaricus bisporus	FooDB	34893796
Plant		Vitis	FooDB	34893796
Plant		Brassica oleracea var. gongylodes	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Prunus persica	FooDB	34893796
Plant	Nut	Carya illinoinensis	FooDB	Phenol Explorer
Plant	Seed	Pimpinella anisum	FooDB	DUKE
Plant		Vitis	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Prunus persica	FooDB	34893796
Plant		Vitis	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Prunus persica	FooDB	34893796
Plant		Citrus x paradisi	FooDB	34893796
Plant		Raphanus sativus var. longipinnatus	FooDB	34893796
Plant		Vitis	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Matricaria recutita	FooDB	Phenol Explorer
Plant		Citrus x paradisi	FooDB	34893796
Plant		Vitis	FooDB	34893796
Plant	Seed	Trigonella foenum-graecum	FooDB	Phenol Explorer
Plant		Carica papaya	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Citrus x paradisi	FooDB	34893796
Plant	Fruit	Ribes rubrum	FooDB	34893796
Plant		Vitis	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Citrus x paradisi	FooDB	34893796
Plant	Plant	Psidium cattleianum	FooDB	DUKE
Plant		Brassica oleracea var. gongylodes	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Citrus x paradisi	FooDB	34893796
Plant	Leaves	Ocimum basilicum	FooDB	DUKE
Plant		Rosmarinus officinalis	FooDB	Phenol Explorer
Plant		Armoracia rusticana	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Citrus x paradisi	FooDB	34893796
Plant		Rosmarinus officinalis	FooDB	34893796
Plant		Levisticum officinale	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Trigonella foenum-graecum	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Brassica oleracea var. gemmifera	FooDB	34893796
Plant		Tetragonia tetragonioides	FooDB	34893796
Plant		Juglans regia	FooDB	Phenol Explorer
Plant		Brassica oleracea var. gemmifera	FooDB	34893796
Plant		Foeniculum vulgare	FooDB	34893796
Plant		Vaccinium macrocarpon	FooDB	PhytoHub
Plant		Brassica oleracea var. botrytis	FooDB	Phenol Explorer
Plant		Foeniculum vulgare	FooDB	34893796
Plant	Juice	Citrus limon	FooDB	Phenol Explorer
Plant		Levisticum officinale	FooDB	34893796
Plant	Juice	Citrus limon	FooDB	Phenol Explorer
Plant		Lepidium sativum	FooDB	Phenol Explorer
Plant		Anethum graveolens	FooDB	34893796
Plant		Origanum x majoricum	FooDB	34893796
Plant		Pimpinella anisum	FooDB	Phenol Explorer
Plant	Fruit	Malpighia emarginata	FooDB	34893796
Plant		Ziziphus zizyphus	FooDB	34893796
Plant		Lepidium sativum	FooDB	34893796
Plant	Fruit	Prunus cerasus	FooDB	Phenol Explorer
Plant		Allium	FooDB	34893796
Plant	Fruit	Ficus carica	FooDB	34893796
Plant	Fruit	Capsicum annuum	FooDB	Phenol Explorer
Plant		Allium	FooDB	34893796
Plant		Allium	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant	Rhizome	Curcuma longa	FooDB	DUKE
Plant		Allium	FooDB	34893796
Plant	Nut	Bertholletia excelsa	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Cinnamomum verum	FooDB	Phenol Explorer
Plant		Allium	FooDB	34893796
Plant	Shoot	Artemisia dracunculus	FooDB	DUKE
Plant	Tea		FooDB	34893796
Plant		Allium	FooDB	34893796
Plant	Leaves	Allium tuberosum	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Allium	FooDB	34893796
Plant		Brassica napus	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Anethum graveolens	FooDB	Phenol Explorer
Plant		Allium	FooDB	PhytoHub
Plant	Tea		FooDB	34893796
Plant		Brassica oleracea var. alboglabra	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Juglans regia	FooDB	34893796
Plant		Lactuca sativa	FooDB	34893796
Plant		Brassica oleracea var. sabauda	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Anethum graveolens	FooDB	Phenol Explorer
Plant		Lactuca sativa	FooDB	34893796
Plant	Fruit	Cucumis melo	FooDB	Phenol Explorer
Plant	Tea		FooDB	34893796
Plant		Lactuca sativa	FooDB	34893796
Plant	Fruit	Persea americana	FooDB	Phenol Explorer
Plant	Fruit	Ribes nigrum	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant	Tea		FooDB	34893796
Plant	Fruit	Rubus chamaemorus	FooDB	34893796
Plant		Lactuca sativa	FooDB	34893796
Plant		Brassica oleracea var. sabauda	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant	Nut	Pistacia vera	FooDB	Phenol Explorer
Plant		Lactuca sativa	FooDB	34893796
Plant	Fruit	Citrus reticulata	FooDB	Phenol Explorer
Plant		Brassica napus	FooDB	34893796
Plant	Tea		FooDB	34893796
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant		Lactuca sativa	FooDB	PhytoHub
Plant	Plant	Diospyros virginiana	FooDB	DUKE
Plant		Eragrostis tef	FooDB	Manually Annotated
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant		Salvia hispanica	FooDB	34893796
Plant		Artemisia dracunculus	FooDB	Phenol Explorer
Plant		Coriandrum sativum	FooDB	Phenol Explorer
Plant		Solanum lycopersicum var. cerasiforme	FooDB	34893796
Plant		Artemisia dracunculus	FooDB	34893796
Plant	Fruit	Vitis vinifera	FooDB	DUKE
Plant	Fruit	Grataegosorbus mitschurinii	FooDB	Phenol Explorer
Plant		Solanum lycopersicum var. cerasiforme	FooDB	PhytoHub
Plant		Brassica oleracea	FooDB	Phenol Explorer
Plant	Flower	Carum carvi	FooDB	DUKE
Plant	Fruit	Ribes nigrum	FooDB	Phenol Explorer
Plant	Shoot	Asparagus officinalis	FooDB	34893796
Plant	Fruit	Ribes nigrum	FooDB	Phenol Explorer
Plant	Fruit	Citrullus lanatus	FooDB	Phenol Explorer
Plant		Punica granatum	FooDB	34893796
Plant	Leaves		FooDB	DUKE
Plant	Leaves	Allium schoenoprasum	FooDB	DUKE
Plant		Punica granatum	FooDB	34893796
Plant	Leaves	Maranta arundinacea	FooDB	DUKE
Plant		Pistacia vera	FooDB	34893796
Plant	Plant	Basella alba	FooDB	DUKE
Plant		Cucumis sativus	FooDB	Manually Annotated
Plant		Brassica oleracea var. viridis	FooDB	34893796
Plant	Seed	Vicia faba	FooDB	Phenol Explorer
Plant		Coriandrum sativum	FooDB	Phenol Explorer
Plant		Portulaca oleracea	FooDB	Phenol Explorer
Plant		Cucumis sativus	FooDB	Manually Annotated
Plant	Leaves		FooDB	DUKE
Plant	Fruit	Piper nigrum	FooDB	DUKE
Plant	Fruit	Solanum lycopersicum var. lycopersicum	FooDB	DUKE
Plant		Brassica oleracea var. gemmifera	FooDB	Phenol Explorer
Plant		Amaranthus	FooDB	34893796
Plant		Lippia graveolens	FooDB	Phenol Explorer
Plant	Fruit	Capsicum annuum	FooDB	Phenol Explorer
Plant		Beta vulgaris	FooDB	34893796
Plant		Brassica oleracea	FooDB	34893796
Plant	Fruit	Ribes rubrum	FooDB	Phenol Explorer
Plant		Brassica oleracea	FooDB	34893796
Plant		Allium ascalonicum	FooDB	Phenol Explorer
Plant	Fruit	Ribes rubrum	FooDB	Phenol Explorer
Plant		Brassica oleracea	FooDB	34893796
Plant	Fruit	Rubus chamaemorus	FooDB	Phenol Explorer
Plant		Musa acuminata	FooDB	Phenol Explorer
Plant	Leaves	Allium schoenoprasum	FooDB	Phenol Explorer
Plant		Brassica oleracea	FooDB	34893796
Plant		Cucurbita maxima	FooDB	Manually Annotated
Plant		Brassica oleracea	FooDB	34893796
Plant		Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant		Carya illinoinensis	FooDB	34893796
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant		Ipomoea batatas	FooDB	34893796
Plant		Juniperus communis	FooDB	34893796
Plant		Cucurbita maxima	FooDB	Manually Annotated
Plant		Brassica oleracea	FooDB	34893796
Plant		Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant		Eugenia uniflora	FooDB	34893796
Plant	Leaves	Vaccinium myrtillus	FooDB	DUKE
Plant		Pastinaca sativa	FooDB	34893796
Plant		Capsicum annuum	FooDB	34893796
Plant		Ipomoea batatas	FooDB	34893796
Plant		Citrus latifolia	FooDB	34893796
Plant		Juniperus communis	FooDB	34893796
Plant	Fruit	Fragaria x ananassa	FooDB	Phenol Explorer
Plant		Pastinaca sativa	FooDB	PhytoHub
Plant	Leaves	Petroselinum crispum	FooDB	DUKE
Plant		Capsicum annuum	FooDB	34893796
Plant		Ipomoea batatas	FooDB	34893796
Plant		Citrus latifolia	FooDB	34893796
Plant	Fruit	Vaccinium	FooDB	34893796
Plant	Fruit	Fragaria x ananassa	FooDB	Phenol Explorer
Plant		Capsicum annuum	FooDB	34893796
Plant		Ipomoea batatas	FooDB	34893796
Plant		Musa acuminata	FooDB	34893796
Plant		Allium tuberosum	FooDB	34893796
Plant		Diospyros virginiana	FooDB	34893796
Plant		Capsicum annuum	FooDB	34893796
Plant	Fruit	Vaccinium virgatum	FooDB	Sellappan S, Akoh CC, Krewer G. Phenolic Compounds and Antioxidant Capacity of Georgia-Grown Blueberries and Blackberries. 2002. J. Agric. Food Chem. 2002, 50, 2432-2438
Plant	Fruit	Ribes rubrum	FooDB	Phenol Explorer
Plant		Capsicum annuum	FooDB	34893796
Plant	Fruit	Gaylussacia baccata	FooDB	Phenol Explorer
Plant		Capsicum annuum	FooDB	34893796
Plant	Flower	Tilia	FooDB	DUKE
Plant		Rumex	FooDB	34893796
Plant	Nut	Macadamia tetraphylla	FooDB	Phenol Explorer
Plant	Flower	Psidium guajava	FooDB	DUKE
Plant		Musa acuminata	FooDB	34893796
Plant		Amelanchier alnifolia	FooDB	34893796
Plant		Portulaca oleracea	FooDB	34893796
Plant		Brassica rapa var. chinensis	FooDB	Phenol Explorer
Plant		Malus pumila	FooDB	34893796
Plant		Cucumis sativus	FooDB	34893796
Plant		Malus pumila	FooDB	34893796
Plant	Leaves	Cichorium endivia	FooDB	DUKE
Plant	Fruit	Vaccinium myrtillus	FooDB	Phenol Explorer
Plant		Malus pumila	FooDB	PhytoHub
Plant	Fruit	Vaccinium myrtillus	FooDB	Phenol Explorer
Plant	Leaves	Spinacia oleracea	FooDB	DUKE
Plant	Fruit	Vaccinium	FooDB	34893796
Plant		Curcuma longa	FooDB	34893796
Plant	Bean	Phaseolus vulgaris	FooDB	Phenol Explorer
Plant	Fruit	Fragaria x ananassa	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant	Fruit	Rosa	FooDB	DUKE
Plant	Fruit	Ceratonia siliqua	FooDB	DUKE
Plant		Brassica oleracea var. conica	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium myrtillus	FooDB	34893796
Plant	Fruit	Cucurbita	FooDB	Phenol Explorer
Plant	Fruit	Solanum melongena	FooDB	F. W. Knapp. Some Characteristics of Eggplant and Avocado Poiyphenolases. J. Food Science. 30(6), 930-936, 1965
Plant	Stem	Olea europaea	FooDB	DUKE
Plant	Shoot	Asparagus officinalis	FooDB	DUKE
Plant	Plant	Eriobotrya japonica	FooDB	DUKE
Plant	Fruit	Capsicum annuum var. annuum	FooDB	DUKE
Plant	Fruit	Persea americana	FooDB	34893796
Plant	Fruit	Sambucus	FooDB	34893796
Plant	Leaves	Origanum vulgare	FooDB	DUKE
Plant		Piper nigrum	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium	FooDB	34893796
Plant		Chenopodium quinoa	FooDB	Manually Annotated
Plant	Flower	Capparis spinosa	FooDB	DUKE
Plant		Brassica oleracea var. botrytis	FooDB	34893796
Plant		Brassica oleracea var. italica	FooDB	Phenol Explorer
Plant	Plant	Myristica fragrans	FooDB	DUKE
Plant	Top part	Brassica rapa var. rapa	FooDB	Phenol Explorer
Plant	Flower	Nelumbo nucifera	FooDB	DUKE
Plant		Brassica oleracea var. botrytis	FooDB	34893796
Plant		Glycine max	FooDB	Manually Annotated
Plant	Bean	Phaseolus vulgaris	FooDB	Phenol Explorer
Plant		Brassica oleracea var. botrytis	FooDB	34893796
Plant		Ocimum basilicum	FooDB	34893796
Plant		Brassica oleracea var. botrytis	FooDB	34893796
Plant	Sprout seedling	Brassica oleracea var. gemmifera	FooDB	DUKE
Plant	Fruit	Vaccinium deliciosum	FooDB	Phenol Explorer
Plant		Allium ampeloprasum	FooDB	34893796
Plant	Plant	Zingiber officinale	FooDB	DUKE
Plant		Ananas comosus	FooDB	34893796
Plant		Piper nigrum	FooDB	Phenol Explorer
Plant		Cucumis melo	FooDB	34893796
Plant		Corchorus olitorius	FooDB	34893796
Plant		Ananas comosus	FooDB	34893796
Plant		Cichorium intybus	FooDB	34893796
Plant		Cucumis melo	FooDB	34893796
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Cichorium intybus	FooDB	34893796
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant	Leaves		FooDB	DUKE
Plant	Plant	Lactuca sativa	FooDB	DUKE
Plant		Mentha x piperita	FooDB	34893796
Plant	Plant	Prunus dulcis	FooDB	DUKE
Plant		Juglans nigra	FooDB	34893796
Plant	Fruit	Syzygium aromaticum	FooDB	DUKE
Plant		Macadamia	FooDB	34893796
Plant		Piper nigrum	FooDB	Phenol Explorer
Plant	Fruit	Solanum lycopersicum var. lycopersicum	FooDB	Phenol Explorer
Plant		Brassica rapa	FooDB	34893796
Plant		Prunus	FooDB	34893796
Plant	Fruit	Sorbus aucuparia	FooDB	Phenol Explorer
Plant	Fruit	Capsicum annuum	FooDB	Phenol Explorer
Plant	Fruit	Solanum lycopersicum var. lycopersicum	FooDB	Phenol Explorer
Plant		Brassica rapa	FooDB	34893796
Plant		Prunus	FooDB	34893796
Plant	Bean	Phaseolus vulgaris	FooDB	Phenol Explorer
Plant		Apium graveolens var. rapaceum	FooDB	Phenol Explorer
Plant		Brassica rapa	FooDB	34893796
Plant		Prunus	FooDB	34893796
Plant		Ocimum basilicum	FooDB	Phenol Explorer
Plant		Lactuca sativa	FooDB	Phenol Explorer
Plant		Brassica rapa	FooDB	34893796
Plant	Fruit	Ribes uva-crispa	FooDB	34893796
Plant		Lactuca sativa	FooDB	Phenol Explorer
Plant		Papaver	FooDB	34893796
Plant		Capparis spinosa	FooDB	Phenol Explorer
Plant	Bulb	Allium cepa	FooDB	DUKE
Plant		Sorbus aucuparia	FooDB	34893796
Plant		Musa acuminata	FooDB	34893796
Plant		Capparis spinosa	FooDB	34893796
Plant	Leaves	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	DUKE
Plant		Ocimum basilicum	FooDB	Phenol Explorer
Plant	Seed	Daucus carota ssp. sativus	FooDB	DUKE
Plant	Leaves	Brassica oleracea var. capitata	FooDB	DUKE
Plant		Citrus limon	FooDB	34893796
Plant	Herb	Oenothera biennis	FooDB	DUKE
Plant		Citrus limon	FooDB	34893796
Plant		Brassica rapa var. pekinensis	FooDB	Phenol Explorer
Plant		Citrus limon	FooDB	34893796
Plant	Leaves	Ginkgo biloba	FooDB	DUKE
Plant	Fruit	Rubus occidentalis	FooDB	Phenol Explorer
Plant		Carum carvi	FooDB	Phenol Explorer
Plant	Fruit	Vitis vinifera	FooDB	Phenol Explorer
Plant	Bean	Phaseolus vulgaris	FooDB	Phenol Explorer
Plant	Fruit	Prunus avium	FooDB	34893796
Plant	Leaves	Foeniculum vulgare	FooDB	DUKE
Plant		Brassica rapa var. pekinensis	FooDB	34893796
Plant	Fruit	Vaccinium oxycoccos	FooDB	Phenol Explorer
Plant	Leaves	Oenothera biennis	FooDB	DUKE
Plant		Lactuca sativa	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium oxycoccos	FooDB	Phenol Explorer
Plant		Allium fistulosum	FooDB	Phenol Explorer
Plant		Lactuca sativa	FooDB	Phenol Explorer
Plant	Tea	Camellia sinensis	FooDB	PhytoHub
Plant	Plant	Cymbopogon citratus	FooDB	DUKE
Plant		Capsicum	FooDB	34893796
Plant	Leaf	Theobroma cacao	FooDB	DUKE
Plant		Citrus sinensis	FooDB	34893796
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Citrus sinensis	FooDB	34893796
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Citrus sinensis	FooDB	34893796
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Citrus sinensis	FooDB	34893796
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Artocarpus heterophyllus	FooDB	34893796
Plant		Prunus domestica	FooDB	34893796
Plant		Citrus sinensis	FooDB	34893796
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Prunus domestica	FooDB	34893796
Plant		Salvia officinalis	FooDB	Phenol Explorer
Plant	Flower	Helianthus annuus	FooDB	DUKE
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Prunus domestica	FooDB	34893796
Plant		Myristica fragrans	FooDB	Phenol Explorer
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Prunus domestica	FooDB	34893796
Plant		Brassica rapa var. rapa	FooDB	Manually Annotated
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Prunus domestica	FooDB	34893796
Plant	Seed	Phaseolus lunatus	FooDB	34893796
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant	Fruit	Capsicum annuum	FooDB	The World Healthiest Foods
Plant		Brassica rapa var. rapa	FooDB	Manually Annotated
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Vaccinium oxycoccos	FooDB	PhytoHub
Plant		Luffa aegyptiaca	FooDB	34893796
Plant	Fruit	Prunus armeniaca	FooDB	34893796
Plant	Fruit	Cydonia oblonga	FooDB	Phenol Explorer
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Glycine max	FooDB	34893796
Plant	Fruit	Vaccinium ovalifolium	FooDB	Phenol Explorer
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant	Fruit	Prunus persica var. persica	FooDB	Phenol Explorer
Plant	Fruit	Vitis vinifera	FooDB	Phenol Explorer
Plant		Salvia officinalis	FooDB	Phenol Explorer
Plant	Fruit	Anacardium occidentale	FooDB	34893796
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant	Pericarp	Pyrus communis	FooDB	DUKE
Plant	Fruit	Vaccinium parvifolium	FooDB	Phenol Explorer
Plant		Citrullus lanatus	FooDB	34893796
Plant		Citrus reticulata	FooDB	34893796
Plant		Prunus armeniaca	FooDB	34893796
Plant	Nut	Anacardium occidentale	FooDB	Phenol Explorer
Plant		Bertholletia excelsa	FooDB	34893796
Plant		Citrus reticulata	FooDB	34893796
Plant		Syzygium aromaticum	FooDB	Phenol Explorer
Plant	Leaves	Helianthus annuus	FooDB	DUKE
Plant		Nelumbo nucifera	FooDB	34893796
Plant	Fruit	Prunus persica var. persica	FooDB	Phenol Explorer
Plant		Allium schoenoprasum	FooDB	34893796
Plant		Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant		Ceratonia siliqua	FooDB	34893796
Plant		Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant		Ceratonia siliqua	FooDB	34893796
Plant		Ceratonia siliqua	FooDB	34893796
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant		Brassica rapa var. rapa	FooDB	34893796
Plant		Prunus dulcis	FooDB	Phenol Explorer
Plant	Fruit	Malus pumila	FooDB	34893796
Plant		Prunus dulcis	FooDB	Phenol Explorer
Plant		Coriandrum sativum	FooDB	34893796
Plant		Prunus persica var. nucipersica	FooDB	34893796
Plant	Fruit	Photinia melanocarpa	FooDB	Phenol Explorer
Plant		Origanum vulgare	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium vitis-idaea	FooDB	34893796
Plant		Prunus persica var. nucipersica	FooDB	34893796
Plant	Fruit	Ribes uva-crispa	FooDB	Phenol Explorer
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant		Prunus persica var. nucipersica	FooDB	34893796
Plant	Juice	Vitis vinifera	FooDB	Phenol Explorer
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant	Fruit	Rumex acetosa	FooDB	DUKE
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Solanum tuberosum	FooDB	Phenol Explorer
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Anacardium occidentale	FooDB	34893796
Plant	Fruit	Vaccinium uliginosum	FooDB	Phenol Explorer
Plant	Fruit	Malus pumila	FooDB	34893796
Plant	Flower	Abelmoschus esculentus	FooDB	DUKE
Plant		Brassica napus var. pabularia	FooDB	34893796
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Origanum vulgare	FooDB	34893796
Plant	Fruit	Malus pumila	FooDB	DUKE
Plant	Fruit	Photinia melanocarpa	FooDB	34893796
Plant		Brassica napus var. pabularia	FooDB	34893796
Plant	Fruit	Vitis vinifera	FooDB	Phenol Explorer
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Phaseolus vulgaris	FooDB	34893796
Plant	Fruit	Vaccinium uliginosum	FooDB	34893796
Plant	Flower	Crocus sativus	FooDB	DUKE
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Origanum vulgare	FooDB	34893796
Plant	Fruit	Vaccinium myrtillus	FooDB	34893796
Plant	Juice	Vaccinium vitis-idaea	FooDB	34893796
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	34893796
Plant	Juice	Citrus maxima	FooDB	Phenol Explorer
Plant		Phaseolus vulgaris	FooDB	34893796
Plant	Fruit	Prunus avium	FooDB	Phenol Explorer
Plant		Phaseolus vulgaris	FooDB	34893796
Plant	Root	Raphanus sativus var. sativus	FooDB	Phenol Explorer
Plant		Eriobotrya japonica	FooDB	24285751
Plant	Leaves	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant	Bark	Castanea sativa	FooDB	DUKE
Plant	Fruit	Vaccinium vitis-idaea	FooDB	Phenol Explorer
Plant	Fruit	Malus pumila	FooDB	34893796
Plant		Photinia melanocarpa	FooDB	34893796
Plant	Plant	Arachis hypogaea	FooDB	DUKE
Plant	Fruit	Vaccinium vitis-idaea	FooDB	Phenol Explorer
Plant		Solanum melongena	FooDB	Manually Annotated
Plant		Photinia melanocarpa	FooDB	34893796
Plant	Plant	Prunus persica	FooDB	DUKE
Plant		Solanum melongena	FooDB	Manually Annotated
Plant	Flower	Solanum tuberosum	FooDB	DUKE
Plant		Photinia melanocarpa	FooDB	34893796
Plant		Raphanus sativus var. niger	FooDB	Phenol Explorer
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Daucus carota ssp. sativus	FooDB	34893796
Plant	Leaves	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant	Shoot	Brassica oleracea var. gongylodes	FooDB	DUKE
Plant	Juice	Rubus idaeus	FooDB	DUKE
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant		Vicia faba	FooDB	34893796
Plant		Daucus carota ssp. sativus	FooDB	34893796
Plant		Vicia faba	FooDB	34893796
Plant	Leaves	Camellia sinensis	FooDB	DUKE
Plant	Sprout seedling	Vigna radiata	FooDB	DUKE
Plant	Fruit	Vaccinium ovatum	FooDB	Phenol Explorer
Plant		Opuntia	FooDB	34893796
Plant	Fruit	Capsicum annuum	FooDB	34893796
Plant	Flower	Citrus limon	FooDB	DUKE
Plant	Fruit	Musa x paradisiaca	FooDB	DUKE
Plant	Pericarp	Malus pumila	FooDB	DUKE
Plant	Fruit	Malus pumila	FooDB	34893796
Plant	Fruit	Cucumis sativus	FooDB	Phenol Explorer
Plant		Colocasia esculenta	FooDB	34893796
Plant	Stem	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant	Plant	Beta vulgaris var. rubra	FooDB	DUKE
Plant		Colocasia esculenta	FooDB	34893796
Plant		Dioscorea	FooDB	34893796
Plant		Allium cepa	FooDB	24285751
Plant		Colocasia esculenta	FooDB	34893796
Plant		Dioscorea	FooDB	34893796
Plant		Colocasia esculenta	FooDB	34893796
Plant		Citrus maxima	FooDB	34893796
Plant	Pollen or spore	Phoenix dactylifera	FooDB	DUKE
Plant		Petroselinum crispum	FooDB	Phenol Explorer
Plant	Plant	Mangifera indica	FooDB	DUKE
Plant		Momordica charantia	FooDB	34893796
Plant		Vitis vinifera	FooDB	34893796
Plant	Plant	Ficus carica	FooDB	DUKE
Plant		Vitis vinifera	FooDB	34893796
Plant		Brassica oleracea var. italica	FooDB	34893796
Plant		Solanum lycopersicum	FooDB	Manually Annotated
Plant		Brassica oleracea var. italica	FooDB	34893796
Plant	Fruit	Empetrum nigrum	FooDB	Phenol Explorer
Plant		Solanum melongena	FooDB	34893796
Plant	Plant	Actinidia chinensis	FooDB	DUKE

Source Type	Activity	Data Source	Reference
Not Available	Antioxidant	U.S. Environmental Protection Agency	CompTox
Not Available	Neurodevelopment effects	U.S. Environmental Protection Agency	CompTox
General Exposome	Not Available	U.S. Environmental Protection Agency	CompTox
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Urine	Detected and Quantified	0.0037	0.0016			umol/mmol creatinine	Adult (>18 years old)	Both	Non-insulin dependent diabetes	HMDB	10694785
Human Urine	Detected and Quantified	0.057	0.017			umol/mmol creatinine	Adult (>18 years old)	Both	Diabetes mellitus type 2	HMDB	10694785
Human Urine	Detected and Quantified	0.0135				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	21272408
Human Urine	Detected and Quantified	0.034				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	27273479
Human Blood	Detected and Quantified			0	0.255	uM	Adult (>18 years old)	Both	Normal	HMDB	19747418
Human Urine	Detected and Quantified	0.0065	0.013			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16197573
Human Urine	Detected and Quantified			0.0110	0.248	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	26814424
Human Urine	Detected and Quantified	0.0133	0.00730			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	17538531
Human Blood	Detected and Quantified	0.0229	0.0166			uM	Adult (>18 years old)	Female	Normal	HMDB	12395214
Human Urine	Detected and Quantified	0.02666	0.01333			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	17426744
Human Blood	Detected and Quantified	0.03	0.015			uM	Adult (>18 years old)	Both	Normal	HMDB	17135030
Human Urine	Detected and Quantified	0.0400	0.0400			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16870009
Human Urine	Detected and Quantified	0.0467	0.0333			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16870009
Human Blood	Detected and Quantified	0.06	0.03			uM	Adult (>18 years old)	Both	Normal	HMDB	17135030
Human Blood	Detected and Quantified	0.0723	0.0810			uM	Adult (>18 years old)	Both	Normal	HMDB	20851305
Human Blood	Detected and Quantified	0.0802	0.0817			uM	Adult (>18 years old)	Both	Normal	HMDB	19747418
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0005794

DrugBank ID

DB04216

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Quercetin

METLIN ID

Not Available

PubChem Compound

5280343

PDB ID

QUE

ChEBI ID

16243

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Perez-Vizcaino F, Duarte J, Andriantsitohaina R: Endothelial function and cardiovascular disease: effects of quercetin and wine polyphenols. Free Radic Res. 2006 Oct;40(10):1054-65. doi: 10.1080/10715760600823128. [PubMed:17015250 ]

Showing metabocard for Quercetin (MMDBc0031154)

MOL for #<Metabolite:0x00007fdb70455440>

3D MOL for #<Metabolite:0x00007fdb70455440>

3D SDF for #<Metabolite:0x00007fdb70455440>

3D-SDF for #<Metabolite:0x00007fdb70455440>

PDB for #<Metabolite:0x00007fdb70455440>

3D PDB for #<Metabolite:0x00007fdb70455440>

SMILES for #<Metabolite:0x00007fdb70455440>

INCHI for #<Metabolite:0x00007fdb70455440>

Structure for #<Metabolite:0x00007fdb70455440>

3D Structure for #<Metabolite:0x00007fdb70455440>