NP-MRD: Showing NP-Card for 10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid (NP0289278)

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Record Information

Version

2.0

Created at

2022-09-09 19:23:16 UTC

Updated at

2022-09-09 19:23:16 UTC

NP-MRD ID

NP0289278

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid

Description

10-{2,5-Dihydroxy-4-methyl-7-oxabicyclo[4.1.0]Hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Based on a literature review very few articles have been published on 10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]Hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 53  0  0  0  0  0  0  0  0999 V2000
   -5.8179   -3.0068   -0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9644   -1.8092   -0.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1698   -0.8553    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2762    0.3307    0.1820 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5040    1.0451    1.3686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8651   -0.1385    0.1328 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7178    0.8725    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240    0.9828    1.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    0.7922    2.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0818    1.0520    3.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.3946    1.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3697    0.1546    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060   -0.2809   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5776    0.4075   -0.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    1.6339   -1.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592   -0.0384   -1.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9148    1.0679   -0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3114    0.6722   -0.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2453    1.4300   -0.6918 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037   -0.5683   -1.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5857   -1.4488    0.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -1.2363   -0.8501 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8264   -1.6330   -1.6538 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1479   -0.6987   -2.6352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4912   -3.6767   -1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8132   -3.5822    0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8884   -2.7639   -0.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9912   -0.9629    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5587    0.9433   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2609    1.6818    1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2428    1.8626    0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0373    0.6735   -0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0558    1.3092    2.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0891    2.1381    3.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    0.6258    4.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0082    0.5704    4.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328   -0.4710    2.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624    1.2185    1.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756   -0.7106   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1652    1.0430   -0.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284   -1.1845    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7493    2.3598   -0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8755    2.1140   -2.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790    1.4006   -2.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.9853   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464   -0.1657   -2.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6946    2.0169   -1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7921    1.1909    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487   -1.0791   -1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6713   -1.2762   -1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726   -2.6308   -2.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1204   -0.7816   -2.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
  9  8  2  0
  8  7  1  0
  6  7  1  1
  6 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
 22  6  1  0
  4  6  1  0
 10 34  1  0
 10 35  1  0
 10 36  1  0
 11 37  1  0
 11 38  1  0
 12 39  1  0
 12 40  1  0
 13 41  1  0
 15 42  1  0
 15 43  1  0
 15 44  1  0
 16 45  1  0
 16 46  1  0
 17 47  1  0
 17 48  1  0
 20 49  1  0
  8 33  1  0
  7 31  1  0
  7 32  1  0
 22 50  1  6
 23 51  1  6
 24 52  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  4 29  1  6
  5 30  1  0
M  END


  Mrv1652309092221232D          

 24 25  0  0  0  0            999 V2000
   -0.7612   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2382   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638   -4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638   -5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7612   -5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -6.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3013   -6.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -7.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3013   -7.9697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -7.2552    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
  3  4  1  4  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  4  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0289278

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(CCC=C(C)CCC(O)=O)=CCC12OC1C(O)C(C)=CC2O

> <INCHI_IDENTIFIER>
InChI=1S/C19H28O5/c1-12(7-8-16(21)22)5-4-6-13(2)9-10-19-15(20)11-14(3)17(23)18(19)24-19/h5,9,11,15,17-18,20,23H,4,6-8,10H2,1-3H3,(H,21,22)

> <INCHI_KEY>
AKBCBBUTZKOPGV-UHFFFAOYSA-N

> <FORMULA>
C19H28O5

> <MOLECULAR_WEIGHT>
336.428

> <EXACT_MASS>
336.193674002

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
37.68471319566207

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid

> <JCHEM_LOGP>
2.213226597666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.204884444249373

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.9288708764074345

> <JCHEM_PKA_STRONGEST_BASIC>
-3.449904974907094

> <JCHEM_POLAR_SURFACE_AREA>
90.29

> <JCHEM_REFRACTIVITY>
93.37329999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.421  -5.541   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.119  -5.541   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.889  -4.207   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.119  -2.874   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.889  -1.540   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.445  -0.770   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.889  -0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.223   0.770   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.223   2.310   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.556  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.890   0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.556  -1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.223  -2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.223  -3.850   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.889  -6.875   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.119  -8.208   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.889  -9.542   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.119 -10.876   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.421 -10.876   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.889 -12.209   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.429 -12.209   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.199 -13.543   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.429 -14.877   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       4.739 -13.543   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   15                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7   13                                             
CONECT    6    5    7                                                       
CONECT    7    6    5    8                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12    5   14                                                  
CONECT   14   13                                                            
CONECT   15    2   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Value	Source
10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoate	Generator

Chemical Formula

C₁₉H₂₈O₅

Average Mass

336.4280 Da

Monoisotopic Mass

336.19367 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(CCC=C(C)CCC(O)=O)=CCC12OC1C(O)C(C)=CC2O

InChI Identifier

InChI=1S/C19H28O5/c1-12(7-8-16(21)22)5-4-6-13(2)9-10-19-15(20)11-14(3)17(23)18(19)24-19/h5,9,11,15,17-18,20,23H,4,6-8,10H2,1-3H3,(H,21,22)

InChI Key

AKBCBBUTZKOPGV-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Substituents

Bicyclic monoterpenoid
Medium-chain fatty acid
Methyl-branched fatty acid
Hydroxy fatty acid
Heterocyclic fatty acid
Branched fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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

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

162815221

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid (NP0289278)

MOL for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)

3D MOL for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)

3D SDF for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)

3D-SDF for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)

PDB for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)

3D PDB for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)

SMILES for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)

INCHI for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)

Structure for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)

3D Structure for NP0289278 (10-{2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4,8-dimethyldeca-4,8-dienoic acid)