NP-MRD: Showing NP-Card for crepenynic acid (NP0177374)

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Record Information

Version

2.0

Created at

2022-09-03 15:12:21 UTC

Updated at

2022-09-03 15:12:22 UTC

NP-MRD ID

NP0177374

Secondary Accession Numbers

None

Natural Product Identification

Common Name

crepenynic acid

Description

(9Z)-octadec-9-en-12-ynoic acid, also known as crepenynic acid or 9c12a-18:2, Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. crepenynic acid is found in Afzelia quanzensis, Chrysanthemum zawadskii, Crepis foetida and Ixora chinensis. crepenynic acid was first documented in 1968 (PMID: 17805875). Based on a literature review a small amount of articles have been published on (9Z)-octadec-9-en-12-ynoic acid (PMID: 17329262) (PMID: 2822134) (PMID: 4086624).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 49  0  0  0  0  0  0  0  0999 V2000
    7.2730   -0.3906   -1.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5892   -1.3882   -0.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5128   -1.2437    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5847    0.2042    0.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4967    0.3421    1.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2236    0.0414    1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -0.1881    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046   -0.4493   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1182    0.7749   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0617    0.9547    0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972   -0.1333    1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1397   -0.4025    0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341    0.8172    0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3451    0.4020   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3271    1.5242   -0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5896    1.0774   -0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2463   -0.0854   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4802   -0.4506   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7879    0.2092   -1.9855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2620   -1.5000   -0.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660   -0.3077   -2.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6567    0.6186   -1.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6937   -0.7531   -2.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5497   -1.1024   -0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7036   -2.4131   -1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5260   -1.3667   -0.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6307   -1.9539    1.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5513    0.4240    1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2978    0.8972   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7204   -0.3545    2.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4590    1.3920    2.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300   -0.6632   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990   -1.3624    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778    1.6753   -0.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5088    1.9387    0.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0404    0.1087    2.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1785   -1.0370    1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0509   -0.6956   -0.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6436   -1.1814    1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5268    1.6221   -0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627    1.1195    1.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6711   -0.5046    0.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0540    0.1975   -1.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5822    1.7666    0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9137    2.4080   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2896    1.9131   -1.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2633    0.7021   -1.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5773   -0.9548   -0.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5812    0.1726    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8320   -2.4208   -0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
 12 39  1  0
 13 40  1  0
 13 41  1  0
 14 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 20 50  1  0
M  END

  Mrv1652309032217122D          

 20 19  0  0  0  0            999 V2000
   -2.0033    7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888    6.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888    5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    3.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0177374

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC#CC\C=C/CCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-

> <INCHI_KEY>
SAOSKFBYQJLQOS-KTKRTIGZSA-N

> <FORMULA>
C18H30O2

> <MOLECULAR_WEIGHT>
278.436

> <EXACT_MASS>
278.224580206

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
35.971312562425936

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9Z)-octadec-9-en-12-ynoic acid

> <JCHEM_LOGP>
6.368505115666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.988167283903808

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
86.76359999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
crepenynic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.739  13.241   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.406  12.471   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.406  10.931   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.072  10.161   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.072   8.621   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.262   7.851   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.595   7.081   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.929   6.311   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.929   4.771   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.263   4.001   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.596   4.771   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      16.266   4.771   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      14.932   2.461   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

View in JSmol

Synonyms

Value	Source
(Z)-9-Octadecen-12-ynoic acid	ChEBI
(Z)-Octadec-9-en-12-ynoic acid	ChEBI
9c12a-18:2	ChEBI
cis-9-Octadecen-12-ynoic acid	ChEBI
cis-Octadec-9-en-12-in-1-saeure	ChEBI
Crepenynic acid	ChEBI
Crepenynsaeure	ChEBI
(9Z)-Octadec-9-en-12-ynoate	Kegg
(Z)-9-Octadecen-12-ynoate	Generator
(Z)-Octadec-9-en-12-ynoate	Generator
cis-9-Octadecen-12-ynoate	Generator
Crepenynate	Generator
Octadec-9-en-12-ynoic acid	MeSH
(Z)-Isomer OF crepenynic acid	MeSH

Chemical Formula

C₁₈H₃₀O₂

Average Mass

278.4360 Da

Monoisotopic Mass

278.22458 Da

IUPAC Name

(9Z)-octadec-9-en-12-ynoic acid

Traditional Name

crepenynic acid

CAS Registry Number

Not Available

SMILES

CCCCCC#CC\C=C/CCCCCCCC(O)=O

InChI Identifier

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-

InChI Key

SAOSKFBYQJLQOS-KTKRTIGZSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Afzelia quanzensis	LOTUS Database	35616633
Chrysanthemum zawadskii	LOTUS Database	35616633
Crepis foetida	LOTUS Database	35616633
Ixora chinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Unsaturated fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

octadecenynoic acid (CHEBI:16423 )
Unsaturated fatty acids (LMFA01030742 )

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	6.37	ChemAxon
pKa (Strongest Acidic)	4.99	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	86.76 m³·mol⁻¹	ChemAxon
Polarizability	35.97 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00001278

Chemspider ID

4444492

KEGG Compound ID

C07289

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5281024

PDB ID

Not Available

ChEBI ID

16423

Good Scents ID

Not Available

References

General References

Nam JW, Kappock TJ: Cloning and transcriptional analysis of Crepis alpina fatty acid desaturases affecting the biosynthesis of crepenynic acid. J Exp Bot. 2007;58(6):1421-32. doi: 10.1093/jxb/erm005. Epub 2007 Feb 27. [PubMed:17329262 ]
Haigh WG, Morris LJ, James AT: Acetylenic acid biosynthesis inCrepis rubra. Lipids. 1968 Jul;3(4):307-12. doi: 10.1007/BF02530929. [PubMed:17805875 ]
Croft KD, Beilin LJ, Ford GL: Differential inhibition of thromboxane B2 and leukotriene B4 biosynthesis by two naturally occurring acetylenic fatty acids. Biochim Biophys Acta. 1987 Oct 17;921(3):621-4. doi: 10.1016/0005-2760(87)90091-9. [PubMed:2822134 ]
Ford GL: Semi-preparative isolation of crepenynic acid, a potential inhibitor of essential fatty acid metabolism. J Chromatogr. 1985 Oct 18;346:431-4. doi: 10.1016/s0021-9673(00)90536-3. [PubMed:4086624 ]
LOTUS database [Link]

Showing NP-Card for crepenynic acid (NP0177374)

MOL for NP0177374 (crepenynic acid)

3D MOL for NP0177374 (crepenynic acid)

3D SDF for NP0177374 (crepenynic acid)

3D-SDF for NP0177374 (crepenynic acid)

PDB for NP0177374 (crepenynic acid)

3D PDB for NP0177374 (crepenynic acid)

SMILES for NP0177374 (crepenynic acid)

INCHI for NP0177374 (crepenynic acid)

Structure for NP0177374 (crepenynic acid)

3D Structure for NP0177374 (crepenynic acid)