MiMeDB: Showing metabocard for Erinacine G (MMDBc0011947)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 03:37:30 UTC

Update Date

2022-12-15 22:51:44 UTC

Metabolite ID

MMDBc0011947

Metabolite Identification

Common Name

Erinacine G

Description

Erinacine G belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Based on a literature review a significant number of articles have been published on Erinacine G.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152105372D          

 39 43  0  0  1  0            999 V2000
    7.8512    2.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3545    1.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0275    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    2.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0192   -0.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373    0.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8074    1.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0338    2.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904    2.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655    2.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7763    1.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2161    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2591    0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570    0.9072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4425    2.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531    1.1782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3543    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    1.8028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0835    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5531    2.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3987    1.6143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7487    1.6241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3627    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114    1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3041    3.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1679   -0.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3902    0.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437    1.7630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0088    0.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3945    2.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3280    2.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203    2.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3335    0.8567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    0.8407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4271   -0.1325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680    1.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6107    0.4938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674    3.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 22  3  1  6  0  0  0
 22  8  1  1  0  0  0
 22  9  1  0  0  0  0
 22 18  1  0  0  0  0
 23  4  1  1  0  0  0
 23 10  1  0  0  0  0
 23 14  1  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 24 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 16  1  0  0  0  0
 25 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 15  2  0  0  0  0
 27 17  1  0  0  0  0
 28 18  2  0  0  0  0
 29 20  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 11  1  0  0  0  0
 32 21  1  0  0  0  0
 33 19  1  0  0  0  0
 33 21  1  0  0  0  0
 14 34  1  6  0  0  0
 16 35  1  6  0  0  0
 36 17  1  0  0  0  0
 19 37  1  1  0  0  0
 38 20  1  0  0  0  0
 39 21  1  0  0  0  0
M  END


  Mrv1652305152105372D          

 39 43  0  0  1  0            999 V2000
    7.8512    2.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3545    1.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0275    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    2.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0192   -0.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373    0.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8074    1.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0338    2.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904    2.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655    2.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7763    1.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2161    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2591    0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570    0.9072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4425    2.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531    1.1782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3543    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    1.8028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0835    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5531    2.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3987    1.6143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7487    1.6241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3627    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114    1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3041    3.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1679   -0.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3902    0.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437    1.7630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0088    0.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3945    2.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3280    2.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203    2.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3335    0.8567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    0.8407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4271   -0.1325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680    1.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6107    0.4938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674    3.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 22  3  1  6  0  0  0
 22  8  1  1  0  0  0
 22  9  1  0  0  0  0
 22 18  1  0  0  0  0
 23  4  1  1  0  0  0
 23 10  1  0  0  0  0
 23 14  1  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 24 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 16  1  0  0  0  0
 25 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 15  2  0  0  0  0
 27 17  1  0  0  0  0
 28 18  2  0  0  0  0
 29 20  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 11  1  0  0  0  0
 32 21  1  0  0  0  0
 33 19  1  0  0  0  0
 33 21  1  0  0  0  0
 14 34  1  6  0  0  0
 16 35  1  6  0  0  0
 36 17  1  0  0  0  0
 19 37  1  1  0  0  0
 38 20  1  0  0  0  0
 39 21  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0011947

> <DATABASE_NAME>
MIME

> <SMILES>
[H]C12O[C@@]3([H])[C@@]4([H])C(=CC[C@]5([H])C(=O)[C@](C)(CCC(=O)C(C)C)CC[C@@]35C)C([H])(O)C(O)(CO1)C([H])(O)C24O

> <INCHI_IDENTIFIER>
InChI=1S/C25H36O8/c1-12(2)15(26)7-8-22(3)9-10-23(4)14(18(22)28)6-5-13-16-19(23)33-21-25(16,31)20(29)24(30,11-32-21)17(13)27/h5,12,14,16-17,19-21,27,29-31H,6-11H2,1-4H3/t14-,16-,17?,19+,20?,21?,22-,23-,24?,25?/m1/s1

> <INCHI_KEY>
HVLLJUVTXKLMKW-PWEREOCZSA-N

> <FORMULA>
C25H36O8

> <MOLECULAR_WEIGHT>
464.555

> <EXACT_MASS>
464.241018119

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
48.97533871486949

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6S,7R,10S,12S,16R)-1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.0^{4,17}.0^{6,16}.0^{7,12}]nonadec-14-en-11-one

> <ALOGPS_LOGP>
1.63

> <JCHEM_LOGP>
1.1828348919999991

> <ALOGPS_LOGS>
-2.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.275152681638808

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.511549374002493

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5502912670229367

> <JCHEM_POLAR_SURFACE_AREA>
133.52

> <JCHEM_REFRACTIVITY>
117.20199999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6S,7R,10S,12S,16R)-1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.0^{4,17}.0^{6,16}.0^{7,12}]nonadec-14-en-11-one

> <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      14.656   4.891   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.728   2.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.385   2.016   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.510   4.441   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.769  -0.142   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.296   0.263   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.840   3.461   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.396   3.996   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.449   4.352   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.909   4.361   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.449   2.904   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.470   3.909   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.350   0.649   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.893   1.693   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.026   4.444   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.526   2.199   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.661   0.246   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.433   1.684   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.570   3.365   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.156   2.106   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.032   4.401   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.211   3.013   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.131   3.032   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.677   1.351   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.328   2.997   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      11.768   5.962   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.313  -1.254   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.195   0.346   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -0.828   3.291   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -1.883   0.394   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.603   3.861   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -0.612   4.375   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       2.651   4.716   0.000  0.00  0.00           O+0
HETATM   34  H   UNK     0       4.356   1.599   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       3.931   1.569   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      -0.797  -0.247   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       4.047   1.901   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       1.140   0.922   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0       0.873   5.933   0.000  0.00  0.00           H+0
CONECT    1   12                                                            
CONECT    2   12                                                            
CONECT    3   22                                                            
CONECT    4   23                                                            
CONECT    5    6   13                                                       
CONECT    6    5   14                                                       
CONECT    7    8   15                                                       
CONECT    8    7   22                                                       
CONECT    9   10   22                                                       
CONECT   10    9   23                                                       
CONECT   11   24   32                                                       
CONECT   12    1    2   15                                                  
CONECT   13    5   16   17                                                  
CONECT   14    6   18   23   34                                             
CONECT   15    7   12   26                                                  
CONECT   16   13   19   25   35                                             
CONECT   17   13   24   27   36                                             
CONECT   18   14   22   28                                                  
CONECT   19   16   23   33   37                                             
CONECT   20   24   25   29   38                                             
CONECT   21   25   32   33   39                                             
CONECT   22    3    8    9   18                                             
CONECT   23    4   10   14   19                                             
CONECT   24   11   17   20   30                                             
CONECT   25   16   20   21   31                                             
CONECT   26   15                                                            
CONECT   27   17                                                            
CONECT   28   18                                                            
CONECT   29   20                                                            
CONECT   30   24                                                            
CONECT   31   25                                                            
CONECT   32   11   21                                                       
CONECT   33   19   21                                                       
CONECT   34   14                                                            
CONECT   35   16                                                            
CONECT   36   17                                                            
CONECT   37   19                                                            
CONECT   38   20                                                            
CONECT   39   21                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

Synonyms

Not Available

Molecular Formula

C₂₅H₃₆O₈

Average Mass

464.555

Monoisotopic Mass

464.241018119

IUPAC Name

(6S,7R,10S,12S,16R)-1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.0^{4,17}.0^{6,16}.0^{7,12}]nonadec-14-en-11-one

Traditional Name

(6S,7R,10S,12S,16R)-1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.0^{4,17}.0^{6,16}.0^{7,12}]nonadec-14-en-11-one

CAS Registry Number

Not Available

SMILES

[H]C12O[C@@]3([H])[C@@]4([H])C(=CC[C@]5([H])C(=O)[C@](C)(CCC(=O)C(C)C)CC[C@@]35C)C([H])(O)C(O)(CO1)C([H])(O)C24O

InChI Identifier

InChI=1S/C25H36O8/c1-12(2)15(26)7-8-22(3)9-10-23(4)14(18(22)28)6-5-13-16-19(23)33-21-25(16,31)20(29)24(30,11-32-21)17(13)27/h5,12,14,16-17,19-21,27,29-31H,6-11H2,1-4H3/t14-,16-,17?,19+,20?,21?,22-,23-,24?,25?/m1/s1

InChI Key

HVLLJUVTXKLMKW-PWEREOCZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Furopyrans

Sub Class

Not Available

Direct Parent

Furopyrans

Alternative Parents

Substituents

Furopyran
Monosaccharide
Oxane
Pyran
Cyclic alcohol
Furan
Tertiary alcohol
Tetrahydrofuran
Ketone
Secondary alcohol
Polyol
Acetal
Oxacycle
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	1.22 g/L	ALOGPS
logP	1.63	ALOGPS
logP	1.18	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	11.51	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	133.52 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	117.2 m³·mol⁻¹	ChemAxon
Polarizability	48.98 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

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
Eukaryota/Fungi	Basidiomycota	3	Human feces	Metabolic reconstruction

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

8727483

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10552092

PDB ID

Not Available

ChEBI ID

175660

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 Erinacine G (MMDBc0011947)

MOL for #<Metabolite:0x00007fecd84a57a0>

3D MOL for #<Metabolite:0x00007fecd84a57a0>

3D SDF for #<Metabolite:0x00007fecd84a57a0>

3D-SDF for #<Metabolite:0x00007fecd84a57a0>

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Structure for #<Metabolite:0x00007fecd84a57a0>

3D Structure for #<Metabolite:0x00007fecd84a57a0>