MiMeDB: Showing metabocard for Sequoiamonascin D (MMDBc0008904)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 01:35:31 UTC

Update Date

2022-08-31 06:29:19 UTC

Metabolite ID

MMDBc0008904

Metabolite Identification

Common Name

Sequoiamonascin D

Description

Sequoiamonascin D belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. Based on a literature review very few articles have been published on Sequoiamonascin D.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152103352D          

 35 37  0  0  1  0            999 V2000
   -1.2718    7.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150    8.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5764    4.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    8.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6035    4.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5573    6.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1572    7.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8716    6.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861    7.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    6.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6805    5.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9354    4.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5145    5.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6186    6.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150    7.2632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3215    5.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    5.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8116    6.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4526    6.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4440    7.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1977    6.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    6.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567    7.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9006    5.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5302    8.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7497    7.5408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8735    5.6285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7424    4.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    6.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1087    7.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0936    5.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9171    8.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1555    4.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3372    8.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    7.6757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 15  2  1  1  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 21 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26  4  1  6  0  0  0
 26 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 11  1  0  0  0  0
 27 14  1  0  0  0  0
 27 16  1  0  0  0  0
 28 12  1  0  0  0  0
 29 22  2  0  0  0  0
 30 23  2  0  0  0  0
 31 24  2  0  0  0  0
 32 25  2  0  0  0  0
 33  5  1  0  0  0  0
 33 24  1  0  0  0  0
 34 25  1  0  0  0  0
 34 26  1  0  0  0  0
 15 35  1  6  0  0  0
M  END


  Mrv1652305152103352D          

 35 37  0  0  1  0            999 V2000
   -1.2718    7.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150    8.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5764    4.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    8.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6035    4.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5573    6.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1572    7.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8716    6.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861    7.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    6.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6805    5.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9354    4.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5145    5.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6186    6.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150    7.2632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3215    5.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    5.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8116    6.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4526    6.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4440    7.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1977    6.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    6.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567    7.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9006    5.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5302    8.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7497    7.5408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8735    5.6285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7424    4.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    6.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1087    7.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0936    5.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9171    8.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1555    4.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3372    8.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    7.6757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 15  2  1  1  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 21 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26  4  1  6  0  0  0
 26 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 11  1  0  0  0  0
 27 14  1  0  0  0  0
 27 16  1  0  0  0  0
 28 12  1  0  0  0  0
 29 22  2  0  0  0  0
 30 23  2  0  0  0  0
 31 24  2  0  0  0  0
 32 25  2  0  0  0  0
 33  5  1  0  0  0  0
 33 24  1  0  0  0  0
 34 25  1  0  0  0  0
 34 26  1  0  0  0  0
 15 35  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0008904

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](C)(CCCCCC)C(=O)C1=C2C(C(=O)OC)=C3C=C(C)N(CCO)C=C3C(=O)[C@]2(C)OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H33NO7/c1-6-7-8-9-10-15(2)22(29)20-21-19(24(31)33-5)17-13-16(3)27(11-12-28)14-18(17)23(30)26(21,4)34-25(20)32/h13-15,28H,6-12H2,1-5H3/t15-,26-/m1/s1

> <INCHI_KEY>
DUAOHJBNXYSKOY-PVPMGCCUSA-N

> <FORMULA>
C26H33NO7

> <MOLECULAR_WEIGHT>
471.55

> <EXACT_MASS>
471.225702407

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
51.62932092109816

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl (9aR)-7-(2-hydroxyethyl)-6,9a-dimethyl-3-[(2R)-2-methyloctanoyl]-2,9-dioxo-2H,7H,9H,9aH-furo[3,2-g]isoquinoline-4-carboxylate

> <ALOGPS_LOGP>
3.55

> <JCHEM_LOGP>
3.5080988706666663

> <ALOGPS_LOGS>
-4.55

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.2839351497669

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.566346173798362

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5510437753982176

> <JCHEM_POLAR_SURFACE_AREA>
110.21000000000001

> <JCHEM_REFRACTIVITY>
129.00239999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl (9aR)-7-(2-hydroxyethyl)-6,9a-dimethyl-3-[(2R)-2-methyloctanoyl]-2,9-dioxofuro[3,2-g]isoquinoline-4-carboxylate

> <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      -2.374  13.558   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.628  15.098   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.143   7.897   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.638  15.322   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.593   7.713   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.040  12.788   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.293  13.558   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.627  12.788   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.961  13.558   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.294  12.788   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.204  10.186   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.679   8.722   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.160   9.682   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.221  11.971   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.628  13.558   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.667   9.362   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.685  11.147   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.715  12.291   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.178  11.467   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.295  13.558   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.702  12.932   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.962  12.788   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.239  13.756   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.148  10.323   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.456  15.090   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.733  14.076   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      14.697  10.506   0.000  0.00  0.00           N+0
HETATM   28  O   UNK     0      18.186   8.401   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       6.962  11.248   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      13.270  14.900   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       7.641  10.643   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       7.312  16.120   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       9.624   8.858   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       9.963  15.410   0.000  0.00  0.00           O+0
HETATM   35  H   UNK     0       4.294  14.328   0.000  0.00  0.00           H+0
CONECT    1    6                                                            
CONECT    2   15                                                            
CONECT    3   16                                                            
CONECT    4   26                                                            
CONECT    5   33                                                            
CONECT    6    1    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   15                                                       
CONECT   11   12   27                                                       
CONECT   12   11   28                                                       
CONECT   13   16   17                                                       
CONECT   14   18   27                                                       
CONECT   15    2   10   22   35                                             
CONECT   16    3   13   27                                                  
CONECT   17   13   18   19                                                  
CONECT   18   14   17   23                                                  
CONECT   19   17   21   24                                                  
CONECT   20   21   22   25                                                  
CONECT   21   19   20   26                                                  
CONECT   22   15   20   29                                                  
CONECT   23   18   26   30                                                  
CONECT   24   19   31   33                                                  
CONECT   25   20   32   34                                                  
CONECT   26    4   21   23   34                                             
CONECT   27   11   14   16                                                  
CONECT   28   12                                                            
CONECT   29   22                                                            
CONECT   30   23                                                            
CONECT   31   24                                                            
CONECT   32   25                                                            
CONECT   33    5   24                                                       
CONECT   34   25   26                                                       
CONECT   35   15                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

Synonyms

Not Available

Molecular Formula

C₂₆H₃₃NO₇

Average Mass

471.55

Monoisotopic Mass

471.225702407

IUPAC Name

methyl (9aR)-7-(2-hydroxyethyl)-6,9a-dimethyl-3-[(2R)-2-methyloctanoyl]-2,9-dioxo-2H,7H,9H,9aH-furo[3,2-g]isoquinoline-4-carboxylate

Traditional Name

methyl (9aR)-7-(2-hydroxyethyl)-6,9a-dimethyl-3-[(2R)-2-methyloctanoyl]-2,9-dioxofuro[3,2-g]isoquinoline-4-carboxylate

CAS Registry Number

Not Available

SMILES

[H][C@@](C)(CCCCCC)C(=O)C1=C2C(C(=O)OC)=C3C=C(C)N(CCO)C=C3C(=O)[C@]2(C)OC1=O

InChI Identifier

InChI=1S/C26H33NO7/c1-6-7-8-9-10-15(2)22(29)20-21-19(24(31)33-5)17-13-16(3)27(11-12-28)14-18(17)23(30)26(21,4)34-25(20)32/h13-15,28H,6-12H2,1-5H3/t15-,26-/m1/s1

InChI Key

DUAOHJBNXYSKOY-PVPMGCCUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Annonaceous acetogenins

Alternative Parents

Substituents

Annonaceae acetogenin skeleton
Tetrahydroisoquinoline
Cyclohexenone
Dihydropyridine
Alpha-acyloxy ketone
2-furanone
Dicarboxylic acid or derivatives
Methyl ester
Enoate ester
Dihydrofuran
Vinylogous amide
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Amino acid or derivatives
Tertiary aliphatic amine
1,2-aminoalcohol
Tertiary amine
Ketone
Lactone
Alkanolamine
Allylamine
Carboxylic acid derivative
Oxacycle
Azacycle
Organoheterocyclic compound
Enamine
Hydrocarbon derivative
Carbonyl group
Alcohol
Organic nitrogen compound
Amine
Organic oxygen compound
Organic oxide
Primary alcohol
Organooxygen compound
Organonitrogen compound
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	0.013 g/L	ALOGPS
logP	3.55	ALOGPS
logP	3.51	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	15.57	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	110.21 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	129 m³·mol⁻¹	ChemAxon
Polarizability	51.63 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	Yes	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
Eukaryota/Fungi	Ascomycota	2	Human feces	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

C00034234

Chemspider ID

9147956

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10972749

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 Sequoiamonascin D (MMDBc0008904)

MOL for #<Metabolite:0x00007fdb08a827b8>

3D MOL for #<Metabolite:0x00007fdb08a827b8>

3D SDF for #<Metabolite:0x00007fdb08a827b8>

3D-SDF for #<Metabolite:0x00007fdb08a827b8>

PDB for #<Metabolite:0x00007fdb08a827b8>

3D PDB for #<Metabolite:0x00007fdb08a827b8>

SMILES for #<Metabolite:0x00007fdb08a827b8>

INCHI for #<Metabolite:0x00007fdb08a827b8>

Structure for #<Metabolite:0x00007fdb08a827b8>

3D Structure for #<Metabolite:0x00007fdb08a827b8>