NP-MRD: Showing NP-Card for 3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid (NP0217936)

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Record Information

Version

2.0

Created at

2022-09-05 18:26:06 UTC

Updated at

2022-09-05 18:26:06 UTC

NP-MRD ID

NP0217936

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid

Description

3-Hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. 3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid is found in Curvularia lunata. Based on a literature review very few articles have been published on 3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052220262D          

 31 31  0  0  0  0            999 V2000
    6.9980   13.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9980   12.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835   11.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691   12.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835   11.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691   10.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691    9.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835    9.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    9.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    9.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    8.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    8.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    6.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    6.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    5.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    4.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    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
  5  3  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  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
 15 14  1  4  0  0  0
 15 16  2  0  0  0  0
 17 16  1  4  0  0  0
 17 18  2  0  0  0  0
 19 18  1  4  0  0  0
 19 20  2  0  0  0  0
 21 20  1  4  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 23 31  1  0  0  0  0
M  END


  Mrv1652309052220262D          

 31 31  0  0  0  0            999 V2000
    6.9980   13.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9980   12.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835   11.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691   12.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835   11.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691   10.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691    9.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835    9.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    9.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    9.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    8.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    8.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    6.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    6.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    5.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    4.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    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
  5  3  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  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
 15 14  1  4  0  0  0
 15 16  2  0  0  0  0
 17 16  1  4  0  0  0
 17 18  2  0  0  0  0
 19 18  1  4  0  0  0
 19 20  2  0  0  0  0
 21 20  1  4  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 23 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0217936

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C=CC(=O)C(=O)C=CC=CC=CC=CC=CC=CC1CC(O)C(O1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)

> <INCHI_KEY>
UWFRQOWLUPERFN-UHFFFAOYSA-N

> <FORMULA>
C25H30O6

> <MOLECULAR_WEIGHT>
426.509

> <EXACT_MASS>
426.204238686

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
49.758023564997394

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid

> <JCHEM_LOGP>
4.863752139

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.124413272774312

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.8451720575960855

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3051260207009667

> <JCHEM_POLAR_SURFACE_AREA>
100.9

> <JCHEM_REFRACTIVITY>
128.4117

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      13.063  24.410   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.063  22.870   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.729  22.100   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.396  22.870   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.729  20.560   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.396  19.790   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.396  18.250   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.729  17.480   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.062  17.480   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.728  18.250   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.062  15.940   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.728  15.170   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.728  13.630   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.395  12.860   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.395  11.320   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.061  10.550   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.061   9.010   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.727   8.240   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.727   6.700   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.393   5.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.393   4.390   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.735  -1.536   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.615  -1.536   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.011  -2.943   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.147  -1.375   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -0.186   1.175   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   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                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   31                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   27   23                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   62    0
END

View in JSmol

Synonyms

Value	Source
3-Hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylate	Generator

Chemical Formula

C₂₅H₃₀O₆

Average Mass

426.5090 Da

Monoisotopic Mass

426.20424 Da

IUPAC Name

3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid

Traditional Name

3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CCC(C)C=CC(=O)C(=O)C=CC=CC=CC=CC=CC=CC1CC(O)C(O1)C(O)=O

InChI Identifier

InChI=1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)

InChI Key

UWFRQOWLUPERFN-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
Curvularia lunata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

C-glycosyl compound
Beta-hydroxy acid
Alpha-diketone
Hydroxy acid
Acryloyl-group
Alpha,beta-unsaturated ketone
Enone
Oxolane
Secondary alcohol
Ketone
Ether
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Organic oxide
Carbonyl group
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	4.86	ChemAxon
pKa (Strongest Acidic)	3.85	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	100.9 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	128.41 m³·mol⁻¹	ChemAxon
Polarizability	49.76 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

78410756

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid (NP0217936)

MOL for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)

3D MOL for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)

3D SDF for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)

3D-SDF for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)

PDB for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)

3D PDB for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)

SMILES for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)

INCHI for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)

Structure for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)

3D Structure for NP0217936 (3-hydroxy-5-(17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl)oxolane-2-carboxylic acid)