MiMeDB: Showing metabocard for Griseorhodin C (MMDBc0010045)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:21:36 UTC

Update Date

2022-08-31 06:31:08 UTC

Metabolite ID

MMDBc0010045

Metabolite Identification

Common Name

Griseorhodin C

Description

3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione belongs to the class of organic compounds known as pyranochromenes. These are organic heterocyclic compounds containing a pyran ring fused to a chromene (1-benzopyran) moiety. Based on a literature review very few articles have been published on 3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152104212D          

 38 43  0  0  0  0            999 V2000
    8.4772   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106   -1.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1181   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847   -0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6703   -0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3111   -0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718   -0.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -1.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564   -0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847   -1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0106    0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998    0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718   -1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2259    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2495   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694   -1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6973   -0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   -0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5929    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6086   -1.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435    0.7888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6545    1.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435   -2.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0541    1.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9948   -1.9532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412   -2.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    1.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3539   -2.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259   -1.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4156   -1.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904   -0.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028   -0.8682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 13  1  0  0  0  0
 20  8  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  2  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 11  1  0  0  0  0
 25 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26  9  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  2  0  0  0  0
 30 18  1  0  0  0  0
 31 19  2  0  0  0  0
 32 22  1  0  0  0  0
 33 23  1  0  0  0  0
 34 24  2  0  0  0  0
 35  2  1  0  0  0  0
 35 10  1  0  0  0  0
 36  6  1  0  0  0  0
 36 24  1  0  0  0  0
 37 20  1  0  0  0  0
 37 25  1  0  0  0  0
 38 21  1  0  0  0  0
 38 25  1  0  0  0  0
M  END


  Mrv1652305152104212D          

 38 43  0  0  0  0            999 V2000
    8.4772   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106   -1.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1181   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847   -0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6703   -0.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3111   -0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718   -0.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -1.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564   -0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847   -1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0106    0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998    0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718   -1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2259    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2495   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694   -1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6973   -0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   -0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5929    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6086   -1.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435    0.7888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6545    1.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435   -2.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0541    1.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9948   -1.9532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412   -2.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    1.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3539   -2.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259   -1.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4156   -1.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904   -0.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028   -0.8682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 13  1  0  0  0  0
 20  8  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  2  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 11  1  0  0  0  0
 25 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26  9  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  2  0  0  0  0
 30 18  1  0  0  0  0
 31 19  2  0  0  0  0
 32 22  1  0  0  0  0
 33 23  1  0  0  0  0
 34 24  2  0  0  0  0
 35  2  1  0  0  0  0
 35 10  1  0  0  0  0
 36  6  1  0  0  0  0
 36 24  1  0  0  0  0
 37 20  1  0  0  0  0
 37 25  1  0  0  0  0
 38 21  1  0  0  0  0
 38 25  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0010045

> <DATABASE_NAME>
MIME

> <SMILES>
COC1=C(O)C2=C(C(O)=C1)C(=O)C1=C(OC3(OC4=C(C=C5C=C(C)OC(=O)C5=C4O)C(O)C3O)C1O)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H18O13/c1-6-3-7-4-8-15(27)23(33)25(37-20(8)18(30)11(7)24(34)36-6)22(32)14-17(29)12-9(26)5-10(35-2)16(28)13(12)19(31)21(14)38-25/h3-5,15,22-23,26-28,30,32-33H,1-2H3

> <INCHI_KEY>
LMOLESOWLGJSCK-UHFFFAOYSA-N

> <FORMULA>
C25H18O13

> <MOLECULAR_WEIGHT>
526.406

> <EXACT_MASS>
526.07474064

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
50.1329311112198

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione

> <ALOGPS_LOGP>
1.49

> <JCHEM_LOGP>
1.9501511773333333

> <ALOGPS_LOGS>
-2.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.699446869857823

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.487774076960934

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4828531669004024

> <JCHEM_POLAR_SURFACE_AREA>
209.50999999999996

> <JCHEM_REFRACTIVITY>
126.26479999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.47e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-3',4'-dihydro-3H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0      15.824  -0.899   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.753  -3.126   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.287  -0.075   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.750   0.748   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.465  -1.065   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.318  -1.219   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.781  -0.396   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.244   0.428   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.321  -0.034   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.144  -2.571   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.305  -1.861   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.144  -0.509   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.465  -2.015   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.753   0.046   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.213   1.572   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.321  -3.046   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.288   0.522   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.799  -2.181   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.930  -2.491   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.768  -1.037   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.074  -1.460   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.087   0.817   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.707   1.251   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.336  -3.005   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.231  -0.214   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.641   1.473   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       8.688   3.037   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       0.641  -4.553   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.968   2.028   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       9.324  -3.646   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       3.250  -3.997   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.247   2.348   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.080   2.658   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      11.861  -4.470   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -2.288  -3.602   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      13.842  -2.684   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       7.262  -1.358   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       5.605  -1.621   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2   35                                                            
CONECT    3    6    7                                                       
CONECT    4    7    8                                                       
CONECT    5    9   10                                                       
CONECT    6    1    3   36                                                  
CONECT    7    3    4   11                                                  
CONECT    8    4   15   20                                                  
CONECT    9    5   12   26                                                  
CONECT   10    5   16   35                                                  
CONECT   11    7   18   24                                                  
CONECT   12    9   13   17                                                  
CONECT   13   12   16   19                                                  
CONECT   14   17   21   22                                                  
CONECT   15    8   23   27                                                  
CONECT   16   10   13   28                                                  
CONECT   17   12   14   29                                                  
CONECT   18   11   20   30                                                  
CONECT   19   13   21   31                                                  
CONECT   20    8   18   37                                                  
CONECT   21   14   19   38                                                  
CONECT   22   14   25   32                                                  
CONECT   23   15   25   33                                                  
CONECT   24   11   34   36                                                  
CONECT   25   22   23   37   38                                             
CONECT   26    9                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   19                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34   24                                                            
CONECT   35    2   10                                                       
CONECT   36    6   24                                                       
CONECT   37   20   25                                                       
CONECT   38   21   25                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

Synonyms

Not Available

Molecular Formula

C₂₅H₁₈O₁₃

Average Mass

526.406

Monoisotopic Mass

526.07474064

IUPAC Name

3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-4,4',9,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione

Traditional Name

3,3',4',5,8,10'-hexahydroxy-7-methoxy-7'-methyl-3',4'-dihydro-3H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-4,9,9'-trione

CAS Registry Number

Not Available

SMILES

COC1=C(O)C2=C(C(O)=C1)C(=O)C1=C(OC3(OC4=C(C=C5C=C(C)OC(=O)C5=C4O)C(O)C3O)C1O)C2=O

InChI Identifier

InChI=1S/C25H18O13/c1-6-3-7-4-8-15(27)23(33)25(37-20(8)18(30)11(7)24(34)36-6)22(32)14-17(29)12-9(26)5-10(35-2)16(28)13(12)19(31)21(14)38-25/h3-5,15,22-23,26-28,30,32-33H,1-2H3

InChI Key

LMOLESOWLGJSCK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyranochromenes. These are organic heterocyclic compounds containing a pyran ring fused to a chromene (1-benzopyran) moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Pyranochromenes

Alternative Parents

Substituents

Pyranochromene
Naphthofuran
Naphthoquinone
Isocoumarin
2-benzopyran
Naphthalene
Aryl ketone
Quinone
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Ketal
Pyranone
Alkyl aryl ether
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous ester
Vinylogous acid
Dihydrofuran
Secondary alcohol
Lactone
Ketone
Oxacycle
Polyol
Ether
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	2.47 g/L	ALOGPS
logP	1.49	ALOGPS
logP	1.95	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	8.49	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	209.51 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	126.26 m³·mol⁻¹	ChemAxon
Polarizability	50.13 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

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

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Actinobacteria	1		Metabolic reconstruction

Exposure Sources

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78444140

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162944336

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Griseorhodin C (MMDBc0010045)

MOL for #<Metabolite:0x00007fdb4c3eb2f8>

3D MOL for #<Metabolite:0x00007fdb4c3eb2f8>

3D SDF for #<Metabolite:0x00007fdb4c3eb2f8>

3D-SDF for #<Metabolite:0x00007fdb4c3eb2f8>

PDB for #<Metabolite:0x00007fdb4c3eb2f8>

3D PDB for #<Metabolite:0x00007fdb4c3eb2f8>

SMILES for #<Metabolite:0x00007fdb4c3eb2f8>

INCHI for #<Metabolite:0x00007fdb4c3eb2f8>

Structure for #<Metabolite:0x00007fdb4c3eb2f8>

3D Structure for #<Metabolite:0x00007fdb4c3eb2f8>