NP-MRD: Showing NP-Card for (3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one (NP0237752)

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Record Information

Version

2.0

Created at

2022-09-06 20:59:22 UTC

Updated at

2022-09-06 20:59:23 UTC

NP-MRD ID

NP0237752

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one

Description

FUKANEDONE C belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. (3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one is found in Ferula fukanensis. (3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one was first documented in 2005 (PMID: 15787437). Based on a literature review very few articles have been published on FUKANEDONE C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062222592D          

 30 31  0  0  1  0            999 V2000
    2.1946    3.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8975    2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8355    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835    2.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    3.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5385    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136    1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205    1.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107    0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1598   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -1.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203   -2.5687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5052   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -3.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136   -4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985   -5.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630   -6.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   -5.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6546   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -4.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752   -1.7840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0598   -1.5291    0.0000 C   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
  2  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 29 30  1  1  0  0  0
M  END

     RDKit          3D

 60 61  0  0  0  0  0  0  0  0999 V2000
    8.5540   -1.1238    0.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5138   -0.0435    0.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8920    1.3081    1.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9750    0.4853    1.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3767    0.1786    2.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2312   -0.1653    1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6596   -1.6078    0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0790   -1.3392    2.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2830    1.1095   -1.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0
  1 33  1  0
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  3 35  1  0
  3 36  1  0
M  END


  Mrv1652309062222592D          

 30 31  0  0  1  0            999 V2000
    2.1946    3.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8975    2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8355    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835    2.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    3.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5385    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136    1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205    1.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107    0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1598   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1953   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3257   -3.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4985   -5.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3190   -5.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0598   -1.5291    0.0000 C   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
  2  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 12  1  1  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
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 16 17  2  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0237752

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1[C@@H](C(=O)C2=CC=C(O)C=C2O)C(=O)O[C@]1(C)CCC\C(C)=C\C(=O)C=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C24H30O6/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21(23(29)30-24)22(28)19-9-8-17(25)13-20(19)27/h8-9,11-13,16,21,25,27H,6-7,10H2,1-5H3/b15-12+/t16-,21+,24-/m1/s1

> <INCHI_KEY>
OFAXVXGIEWFHQV-UZJAXVDTSA-N

> <FORMULA>
C24H30O6

> <MOLECULAR_WEIGHT>
414.498

> <EXACT_MASS>
414.204238686

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
45.6391889504517

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,4R,5R)-3-(2,4-dihydroxybenzoyl)-5-[(4E)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one

> <JCHEM_LOGP>
5.681117955333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.441018114657421

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.803484957269101

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7842113315378962

> <JCHEM_POLAR_SURFACE_AREA>
100.9

> <JCHEM_REFRACTIVITY>
116.03029999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,4R,5R)-3-(2,4-dihydroxybenzoyl)-5-[(4E)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       4.096   7.371   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.066   6.226   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.542   4.762   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.560   6.547   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.529   5.402   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.977   5.722   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.005   3.938   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.025   2.793   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.532   3.113   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.451   1.329   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.580   0.184   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.104  -1.281   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.134  -2.425   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.165  -1.281   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.111  -3.330   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.364  -4.795   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.541  -6.041   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.904  -4.795   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.810  -6.041   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -4.341  -5.880   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.183  -7.448   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.652  -7.609   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.025  -9.015   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.931 -10.261   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.304 -11.668   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -2.462 -10.100   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.088  -8.693   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -4.620  -8.532   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.380  -3.330   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.845  -2.854   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   29                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   29                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   21   28                                                  
CONECT   28   27                                                            
CONECT   29   18   13   30                                                  
CONECT   30   29                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   62    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₃₀O₆

Average Mass

414.4980 Da

Monoisotopic Mass

414.20424 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H]1[C@@H](C(=O)C2=CC=C(O)C=C2O)C(=O)O[C@]1(C)CCC\C(C)=C\C(=O)C=C(C)C

InChI Identifier

InChI=1S/C24H30O6/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21(23(29)30-24)22(28)19-9-8-17(25)13-20(19)27/h8-9,11-13,16,21,25,27H,6-7,10H2,1-5H3/b15-12+/t16-,21+,24-/m1/s1

InChI Key

OFAXVXGIEWFHQV-UZJAXVDTSA-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
Ferula fukanensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Alkyl-phenylketone
Monoterpenoid
Monocyclic monoterpenoid
Aromatic monoterpenoid
Phenylketone
Benzoyl
Resorcinol
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Gamma butyrolactone
Benzenoid
Monocyclic benzene moiety
1,3-dicarbonyl compound
Acryloyl-group
Enone
Vinylogous acid
Oxolane
Alpha,beta-unsaturated ketone
Lactone
Ketone
Carboxylic acid ester
Monocarboxylic acid or derivatives
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Aldehyde
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Organic oxide
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

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

9525449

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11350513

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Motai T, Kitanaka S: Sesquiterpene phenylpropanoids from Ferula fukanensis and their nitric oxide production inhibitory effects. J Nat Prod. 2005 Mar;68(3):365-8. doi: 10.1021/np040215c. [PubMed:15787437 ]
LOTUS database [Link]

Showing NP-Card for (3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one (NP0237752)

MOL for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)

3D MOL for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)

3D SDF for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)

3D-SDF for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)

PDB for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)

3D PDB for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)

SMILES for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)

INCHI for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)

Structure for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)

3D Structure for NP0237752 ((3s,4r,5r)-3-(2,4-dihydroxybenzoyl)-5-[(4e)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-4,5-dimethyloxolan-2-one)