NP-MRD: Showing NP-Card for 11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid (NP0225641)

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Record Information

Version

2.0

Created at

2022-09-06 04:25:36 UTC

Updated at

2022-09-06 04:25:36 UTC

NP-MRD ID

NP0225641

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid

Description

11-[5-(C-hydroxycarbonimidoyl)-4-oxo-4H-pyran-2-yl]undeca-8,10-dienoic acid 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. 11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid is found in Aplysina aerophoba. 11-[5-(C-hydroxycarbonimidoyl)-4-oxo-4H-pyran-2-yl]undeca-8,10-dienoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 44  0  0  0  0  0  0  0  0999 V2000
   -8.4054    2.7543    0.6123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6706    2.6315    1.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2565    2.9067    2.8928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2805    2.1982    1.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5422    2.0684    2.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2962    1.6801    2.9284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6330    1.3798    1.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2253    0.9522    1.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5416    0.6519    0.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1403    0.2301    0.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066   -0.0865   -0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115   -0.5026    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646   -1.9058   -0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5362   -2.4784   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724   -1.6466   -0.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2521   -1.5886   -2.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2199   -0.7908   -3.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5986   -1.2801   -3.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4885   -0.6378   -3.8099 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -2.3876   -2.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3133    1.4898    0.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6292    1.8964    0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2956    2.0121   -0.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7340    1.8758    0.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6147    3.6891    0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0457    2.3050    3.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7566    0.8891    2.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791    0.7061   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2814    0.1824    1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2687   -0.0673   -1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205    0.1961   -0.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195   -0.5574    1.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -1.9622   -1.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807   -2.5922    0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4965   -3.5103   -0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655   -2.5950    0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5549   -0.6299   -0.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6027   -2.0217   -0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2031   -2.6115   -2.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595   -1.0786   -2.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2272    0.2805   -2.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8563   -0.8751   -4.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9623   -2.4345   -2.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8462    1.2649   -0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  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
  7 21  2  0
 21 22  1  0
 22 23  2  0
 22  4  1  0
  1 24  1  0
  1 25  1  0
  5 26  1  0
  8 27  1  0
  9 28  1  0
 10 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 20 43  1  0
 21 44  1  0
M  END


  Mrv1533004171517342D          

 23 23  0  0  0  0            999 V2000
   -2.8579    8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  7  1  4  0  0  0
 11 12  2  0  0  0  0
 13 12  1  4  0  0  0
 13 14  2  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  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0225641

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC(=O)C1=COC(C=CC=CCCCCCCC(O)=O)=CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H21NO5/c18-17(22)14-12-23-13(11-15(14)19)9-7-5-3-1-2-4-6-8-10-16(20)21/h3,5,7,9,11-12H,1-2,4,6,8,10H2,(H2,18,22)(H,20,21)

> <INCHI_KEY>
IGOIDGWJMMAZDD-UHFFFAOYSA-N

> <FORMULA>
C17H21NO5

> <MOLECULAR_WEIGHT>
319.357

> <EXACT_MASS>
319.14197278

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
35.094374899003235

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
11-(5-carbamoyl-4-oxo-4H-pyran-2-yl)undeca-8,10-dienoic acid

> <ALOGPS_LOGP>
2.88

> <JCHEM_LOGP>
2.2090155036666665

> <ALOGPS_LOGS>
-3.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.490029389626592

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.955292621080112

> <JCHEM_PKA_STRONGEST_BASIC>
-1.4654376049893605

> <JCHEM_POLAR_SURFACE_AREA>
106.69000000000001

> <JCHEM_REFRACTIVITY>
89.3287

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.50e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
11-(5-carbamoyl-4-oxopyran-2-yl)undeca-8,10-dienoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  N   UNK     0      -5.335  15.400   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -4.001  16.170   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -4.001  17.710   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -2.667  15.400   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  16.170   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.000  15.400   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.000  13.860   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667  13.860   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.001  13.090   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      13.337   9.240   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9                                                            
CONECT   11    7   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                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
11-[5-(C-Hydroxycarbonimidoyl)-4-oxo-4H-pyran-2-yl]undeca-8,10-dienoate	Generator

Chemical Formula

C₁₇H₂₁NO₅

Average Mass

319.3570 Da

Monoisotopic Mass

319.14197 Da

IUPAC Name

11-(5-carbamoyl-4-oxo-4H-pyran-2-yl)undeca-8,10-dienoic acid

Traditional Name

11-(5-carbamoyl-4-oxopyran-2-yl)undeca-8,10-dienoic acid

CAS Registry Number

Not Available

SMILES

NC(=O)C1=COC(C=CC=CCCCCCCC(O)=O)=CC1=O

InChI Identifier

InChI=1S/C17H21NO5/c18-17(22)14-12-23-13(11-15(14)19)9-7-5-3-1-2-4-6-8-10-16(20)21/h3,5,7,9,11-12H,1-2,4,6,8,10H2,(H2,18,22)(H,20,21)

InChI Key

IGOIDGWJMMAZDD-UHFFFAOYSA-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
Aplysina aerophoba	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
Amino fatty acid
Heterocyclic fatty acid
Pyranone
Pyran
Unsaturated fatty acid
Heteroaromatic compound
Cyclic ketone
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organic oxide
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	2.88	ALOGPS
logP	2.21	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	4.96	ChemAxon
pKa (Strongest Basic)	-1.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	106.69 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	89.33 m³·mol⁻¹	ChemAxon
Polarizability	35.09 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

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

85345734

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid (NP0225641)

MOL for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)

3D MOL for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)

3D SDF for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)

3D-SDF for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)

PDB for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)

3D PDB for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)

SMILES for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)

INCHI for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)

Structure for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)

3D Structure for NP0225641 (11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid)