MiMeDB: Showing metabocard for 2-methoxy-6-(all-trans-hexaprenyl)phenol (MMDBc0031796)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:49:38 UTC

Update Date

2022-08-31 18:24:48 UTC

Metabolite ID

MMDBc0031796

Metabolite Identification

Common Name

2-methoxy-6-(all-trans-hexaprenyl)phenol

Description

2-methoxy-6-(all-trans-hexaprenyl)phenol is involved in the ubiquinol-n biosynthesis pathway. It is a substrate for the 2-polyprenyl-6-methoxyphenol hydroxylase that catalyses the following reaction: 2-methoxy-6-(all-trans-hexaprenyl)phenol + NADPH + oxygen + H+ <=> 2-methoxy-6-all trans-hexaprenyl-2-methoxy-1,4-benzoquinol + NADP+ + H2O

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 10221219502D          

 34 34  0  0  0  0            999 V2000
    5.7578    7.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723    4.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723    5.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578    3.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    6.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578    6.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    7.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578    5.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    4.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    5.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    5.5081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    3.8581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    7.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    8.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    7.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    7.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    7.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    5.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    6.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    6.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    6.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    3.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    3.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    5.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    4.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    2.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    2.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  1  0  0  0  0
  8  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 13 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 18 15  1  0  0  0  0
 18 16  2  0  0  0  0
 14 21  1  0  0  0  0
 22 19  1  0  0  0  0
 22 20  1  0  0  0  0
 22 21  2  0  0  0  0
 19 25  1  0  0  0  0
 26 23  1  0  0  0  0
 26 24  1  0  0  0  0
 26 25  2  0  0  0  0
 23 29  1  0  0  0  0
 30 27  1  0  0  0  0
 30 28  1  0  0  0  0
 30 29  2  0  0  0  0
 27 33  1  0  0  0  0
 34 31  1  0  0  0  0
 34 32  1  0  0  0  0
 34 33  2  0  0  0  0
M  END


  Mrv0541 10221219502D          

 34 34  0  0  0  0            999 V2000
    5.7578    7.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723    4.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723    5.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578    3.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    6.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578    6.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    7.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578    5.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    4.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    5.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    5.5081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    3.8581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    7.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    8.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    7.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    7.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    7.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    5.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    6.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    6.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    6.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    3.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    3.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    5.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    4.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    2.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    2.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7565    1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  1  0  0  0  0
  8  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 13 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 18 15  1  0  0  0  0
 18 16  2  0  0  0  0
 14 21  1  0  0  0  0
 22 19  1  0  0  0  0
 22 20  1  0  0  0  0
 22 21  2  0  0  0  0
 19 25  1  0  0  0  0
 26 23  1  0  0  0  0
 26 24  1  0  0  0  0
 26 25  2  0  0  0  0
 23 29  1  0  0  0  0
 30 27  1  0  0  0  0
 30 28  1  0  0  0  0
 30 29  2  0  0  0  0
 27 33  1  0  0  0  0
 34 31  1  0  0  0  0
 34 32  1  0  0  0  0
 34 33  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0031796

> <DATABASE_NAME>
MIME

> <SMILES>
COC1=CC=CC(C\C=C(/C)C\C=C(/C)C\C=C(/C)C\C=C(/C)C\C=C(/C)CC=C(C)C)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C32H46O2/c1-24(2)12-13-25(3)14-15-26(4)16-17-27(5)18-19-28(6)20-21-29(7)22-23-30-10-9-11-31(34-8)32(30)33/h9-12,14,16,18,20,22,33H,13,15,17,19,21,23H2,1-8H3/b25-14+,26-16+,27-18+,28-20+,29-22+

> <INCHI_KEY>
SYOXGUDIUGHRKM-BETNFHSFSA-N

> <FORMULA>
C32H46O2

> <MOLECULAR_WEIGHT>
462.7064

> <EXACT_MASS>
462.349780716

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
58.16248593533949

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2E,5E,8E,11E,14E)-3,6,9,12,15,18-hexamethylnonadeca-2,5,8,11,14,17-hexaen-1-yl]-6-methoxyphenol

> <ALOGPS_LOGP>
8.10

> <JCHEM_LOGP>
9.316304278

> <ALOGPS_LOGS>
-5.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.788458249131034

> <JCHEM_PKA_STRONGEST_BASIC>
-4.892153651452715

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
154.7529

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.38e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2E,5E,8E,11E,14E)-3,6,9,12,15,18-hexamethylnonadeca-2,5,8,11,14,17-hexaen-1-yl]-6-methoxyphenol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-OCT-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-OCT-12         0                                  
HETATM    1  C   UNK     0      10.748  14.902   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.081   5.662   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.082   7.972   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.082   9.512   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.748   7.202   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.414  12.592   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.748  11.822   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.414  14.132   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.748  10.282   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.414   7.972   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.414   9.512   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.081  10.282   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       8.081   7.202   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.079  14.132   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.413  16.442   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.747  14.132   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.081  14.902   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.413  14.902   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.746  10.282   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.412  12.592   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.079  12.592   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.746  11.822   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.413   7.202   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.746   7.202   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.079   9.512   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.079   7.972   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.079   3.352   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.746   5.662   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.413   5.662   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.079   4.892   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.078   2.582   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.412   4.892   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.746   2.582   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.412   3.352   0.000  0.00  0.00           C+0
CONECT    1    8                                                            
CONECT    2   13                                                            
CONECT    3    4    5                                                       
CONECT    4    3    9                                                       
CONECT    5    3   10                                                       
CONECT    6    7    8                                                       
CONECT    7    6    9                                                       
CONECT    8   17    1    6                                                  
CONECT    9    4    7   11                                                  
CONECT   10    5   11   13                                                  
CONECT   11    9   10   12                                                  
CONECT   12   11                                                            
CONECT   13    2   10                                                       
CONECT   14   18   21                                                       
CONECT   15   18                                                            
CONECT   16   17   18                                                       
CONECT   17    8   16                                                       
CONECT   18   14   15   16                                                  
CONECT   19   22   25                                                       
CONECT   20   22                                                            
CONECT   21   14   22                                                       
CONECT   22   19   20   21                                                  
CONECT   23   26   29                                                       
CONECT   24   26                                                            
CONECT   25   19   26                                                       
CONECT   26   23   24   25                                                  
CONECT   27   30   33                                                       
CONECT   28   30                                                            
CONECT   29   23   30                                                       
CONECT   30   27   28   29                                                  
CONECT   31   34                                                            
CONECT   32   34                                                            
CONECT   33   27   34                                                       
CONECT   34   31   32   33                                                  
MASTER        0    0    0    0    0    0    0    0   34    0   68    0
END

Synonyms

Not Available

Molecular Formula

C₃₂H₄₆O₂

Average Mass

462.7064

Monoisotopic Mass

462.349780716

IUPAC Name

2-[(2E,5E,8E,11E,14E)-3,6,9,12,15,18-hexamethylnonadeca-2,5,8,11,14,17-hexaen-1-yl]-6-methoxyphenol

Traditional Name

2-[(2E,5E,8E,11E,14E)-3,6,9,12,15,18-hexamethylnonadeca-2,5,8,11,14,17-hexaen-1-yl]-6-methoxyphenol

CAS Registry Number

Not Available

SMILES

COC1=CC=CC(C\C=C(/C)C\C=C(/C)C\C=C(/C)C\C=C(/C)C\C=C(/C)CC=C(C)C)=C1O

InChI Identifier

InChI=1S/C32H46O2/c1-24(2)12-13-25(3)14-15-26(4)16-17-27(5)18-19-28(6)20-21-29(7)22-23-30-10-9-11-31(34-8)32(30)33/h9-12,14,16,18,20,22,33H,13,15,17,19,21,23H2,1-8H3/b25-14+,26-16+,27-18+,28-20+,29-22+

InChI Key

SYOXGUDIUGHRKM-BETNFHSFSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.00054 g/L	ALOGPS
logP	8.1	ALOGPS
logP	9.32	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	9.79	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.46 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	154.75 m³·mol⁻¹	ChemAxon
Polarizability	58.16 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0900000000-01031cbc57172ca2d203	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000f-2900000000-5603f57b24acbb8540e4	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0gb9-9500000000-f2471b0334d5974f7c01	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0900000000-58a4bb7395418e87a10b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0900000000-e970ae8f60d0fd6576ee	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-3900000000-82465f97a67f1fe0a92a	2015-09-15	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

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	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Sajed T, Marcu A, Ramirez M, Pon A, Guo AC, Knox C, Wilson M, Grant JR, Djoumbou Y, Wishart DS: ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 2016 Jan 4;44(D1):D495-501. doi: 10.1093/nar/gkv1060. Epub 2015 Oct 19. [PubMed:26481353 ]

Showing metabocard for 2-methoxy-6-(all-trans-hexaprenyl)phenol (MMDBc0031796)

MOL for #<Metabolite:0x00007f46e10ef040>

3D MOL for #<Metabolite:0x00007f46e10ef040>

3D SDF for #<Metabolite:0x00007f46e10ef040>

3D-SDF for #<Metabolite:0x00007f46e10ef040>

PDB for #<Metabolite:0x00007f46e10ef040>

3D PDB for #<Metabolite:0x00007f46e10ef040>

SMILES for #<Metabolite:0x00007f46e10ef040>

INCHI for #<Metabolite:0x00007f46e10ef040>

Structure for #<Metabolite:0x00007f46e10ef040>

3D Structure for #<Metabolite:0x00007f46e10ef040>