NP-MRD: Showing NP-Card for Medicagenic acid (NP0048002)

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Record Information

Version

2.0

Created at

2022-03-17 20:49:28 UTC

Updated at

2022-03-17 20:49:29 UTC

NP-MRD ID

NP0048002

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Medicagenic acid

Description

Medicagenic acid, also known as medicagenate or catsanogenin, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Medicagenic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Medicagenic acid has been detected, but not quantified in, cereals and cereal products. Medicagenic acid is found in Barringtonia acutangula, Castanospermum australe, Chaenomeles sinensis, Crocosmia crocosmiiflora, Gladiolus italicus, Medicago arborea, Medicago lupulina, Medicago spp., Medicago truncatula, Medicago turbinata and Zanha golungensis. This could make medicagenic acid a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05061307542D          

 36 40  0  0  0  0            999 V2000
    1.8730    6.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8124    6.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2297    3.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0863    2.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7893    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139    1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007    4.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152    4.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152    1.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    5.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    2.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    4.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427    3.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    5.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441    3.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    4.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    4.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586    2.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152    3.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296    2.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4745    1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    3.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427    5.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2297    2.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    3.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007    2.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441    1.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427    4.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730    3.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731    1.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870    1.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923    0.2646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    2.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716    4.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 17  7  2  0  0  0  0
 18 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 19  1  0  0  0  0
 25  1  1  0  0  0  0
 25  2  1  0  0  0  0
 25 11  1  0  0  0  0
 25 15  1  0  0  0  0
 26  3  1  0  0  0  0
 26 16  1  0  0  0  0
 26 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27  4  1  0  0  0  0
 27 12  1  0  0  0  0
 27 17  1  0  0  0  0
 28  5  1  0  0  0  0
 28 10  1  0  0  0  0
 28 20  1  0  0  0  0
 28 27  1  0  0  0  0
 29  6  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  1  0  0  0  0
 29 23  1  0  0  0  0
 30 13  1  0  0  0  0
 30 14  1  0  0  0  0
 30 18  1  0  0  0  0
 30 24  1  0  0  0  0
 31 19  1  0  0  0  0
 32 22  1  0  0  0  0
 33 23  2  0  0  0  0
 34 23  1  0  0  0  0
 35 24  2  0  0  0  0
 36 24  1  0  0  0  0
M  END


  Mrv0541 05061307542D          

 36 40  0  0  0  0            999 V2000
    1.8730    6.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8124    6.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2297    3.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0863    2.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7893    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139    1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007    4.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152    4.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152    1.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    5.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    2.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    4.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427    3.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    5.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441    3.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    4.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    4.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586    2.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152    3.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296    2.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4745    1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    3.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427    5.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2297    2.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    3.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007    2.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441    1.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427    4.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730    3.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731    1.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870    1.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923    0.2646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    2.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716    4.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 17  7  2  0  0  0  0
 18 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 19  1  0  0  0  0
 25  1  1  0  0  0  0
 25  2  1  0  0  0  0
 25 11  1  0  0  0  0
 25 15  1  0  0  0  0
 26  3  1  0  0  0  0
 26 16  1  0  0  0  0
 26 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27  4  1  0  0  0  0
 27 12  1  0  0  0  0
 27 17  1  0  0  0  0
 28  5  1  0  0  0  0
 28 10  1  0  0  0  0
 28 20  1  0  0  0  0
 28 27  1  0  0  0  0
 29  6  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  1  0  0  0  0
 29 23  1  0  0  0  0
 30 13  1  0  0  0  0
 30 14  1  0  0  0  0
 30 18  1  0  0  0  0
 30 24  1  0  0  0  0
 31 19  1  0  0  0  0
 32 22  1  0  0  0  0
 33 23  2  0  0  0  0
 34 23  1  0  0  0  0
 35 24  2  0  0  0  0
 36 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0048002

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)

> <INCHI_KEY>
IDGXIXSKISLYAC-UHFFFAOYSA-N

> <FORMULA>
C30H46O6

> <MOLECULAR_WEIGHT>
502.6826

> <EXACT_MASS>
502.329439204

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
56.78011375702927

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid

> <ALOGPS_LOGP>
4.15

> <JCHEM_LOGP>
4.711622425333335

> <ALOGPS_LOGS>
-4.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.928323848435747

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.282658569011439

> <JCHEM_PKA_STRONGEST_BASIC>
-3.16940084496013

> <JCHEM_POLAR_SURFACE_AREA>
115.06000000000002

> <JCHEM_REFRACTIVITY>
136.70319999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.10e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       3.496  12.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.516  12.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.162   6.971   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.161   4.661   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.473   6.884   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.506   1.941   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.495   8.511   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.828   7.741   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.828   3.121   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.495   3.891   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.840  10.051   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.173   5.431   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.840   8.511   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.506   6.201   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.173  10.051   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.496   6.201   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.161   7.741   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.173   8.511   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.829   5.431   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.828   6.201   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.162   3.891   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.829   3.891   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.486   1.941   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.840   6.971   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.506  10.821   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.162   5.431   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.161   6.201   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.495   5.431   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.496   3.121   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.506   7.741   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -8.163   6.201   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -8.163   3.121   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -8.002   2.208   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -5.959   0.494   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       3.840   5.431   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.174   7.741   0.000  0.00  0.00           O+0
CONECT    1   25                                                            
CONECT    2   25                                                            
CONECT    3   26                                                            
CONECT    4   27                                                            
CONECT    5   28                                                            
CONECT    6   29                                                            
CONECT    7    8   17                                                       
CONECT    8    7   20                                                       
CONECT    9   10   21                                                       
CONECT   10    9   28                                                       
CONECT   11   13   25                                                       
CONECT   12   14   27                                                       
CONECT   13   11   30                                                       
CONECT   14   12   30                                                       
CONECT   15   18   25                                                       
CONECT   16   19   26                                                       
CONECT   17    7   18   27                                                  
CONECT   18   15   17   30                                                  
CONECT   19   16   22   31                                                  
CONECT   20    8   26   28                                                  
CONECT   21    9   26   29                                                  
CONECT   22   19   29   32                                                  
CONECT   23   29   33   34                                                  
CONECT   24   30   35   36                                                  
CONECT   25    1    2   11   15                                             
CONECT   26    3   16   20   21                                             
CONECT   27    4   12   17   28                                             
CONECT   28    5   10   20   27                                             
CONECT   29    6   21   22   23                                             
CONECT   30   13   14   18   24                                             
CONECT   31   19                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34   23                                                            
CONECT   35   24                                                            
CONECT   36   24                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END

View in JSmol

Synonyms

Value	Source
Medicagenate	Generator
2-beta,3-beta-Dihydroxyolean-12-ene-23,28-dioic acid	HMDB
Catsanogenin	HMDB
Medicogenic acid	HMDB
2,3-Dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylate	Generator

Chemical Formula

C₃₀H₄₆O₆

Average Mass

502.6826 Da

Monoisotopic Mass

502.32944 Da

IUPAC Name

2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid

Traditional Name

2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid

CAS Registry Number

599-07-5

SMILES

CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O

InChI Identifier

InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)

InChI Key

IDGXIXSKISLYAC-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Barringtonia acutangula	LOTUS Database	35616633
Castanospermum australe	LOTUS Database	35616633
Chaenomeles sinensis	LOTUS Database	35616633
Crocosmia crocosmiiflora	LOTUS Database	35616633
Gladiolus italicus	LOTUS Database	35616633
Medicago arborea	Plant	KNApSAcK
Medicago lupulina	LOTUS Database	35616633
Medicago sativa	FooDB	PHYTOHUB
Medicago spp.	Plant	KNApSAcK
Medicago truncatula	Plant	KNApSAcK
Medicago turbinata	LOTUS Database	35616633
Zanha golungensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
12-hydroxysteroid
15-hydroxysteroid
Hydroxysteroid
Steroid
Beta-hydroxy acid
Hydroxy acid
Dicarboxylic acid or derivatives
Cyclic alcohol
Secondary alcohol
1,2-diol
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.15	ALOGPS
logP	4.71	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	4.28	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	115.06 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	136.7 m³·mol⁻¹	ChemAxon
Polarizability	56.78 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0034551

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB013057

KNApSAcK ID

Not Available

Chemspider ID

385658

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

436072

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Medicagenic acid (NP0048002)

MOL for NP0048002 (Medicagenic acid)

3D MOL for NP0048002 (Medicagenic acid)

3D SDF for NP0048002 (Medicagenic acid)

3D-SDF for NP0048002 (Medicagenic acid)

PDB for NP0048002 (Medicagenic acid)

3D PDB for NP0048002 (Medicagenic acid)

SMILES for NP0048002 (Medicagenic acid)

INCHI for NP0048002 (Medicagenic acid)

Structure for NP0048002 (Medicagenic acid)

3D Structure for NP0048002 (Medicagenic acid)