NP-MRD: Showing NP-Card for 5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione (NP0209980)

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Record Information

Version

2.0

Created at

2022-09-05 07:36:23 UTC

Updated at

2022-09-05 07:36:23 UTC

NP-MRD ID

NP0209980

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

Description

5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione is found in Garcinia dulcis.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052209362D          

 44 46  0  0  0  0            999 V2000
   -1.4767    0.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622    0.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0477   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0957   -1.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 40 42  1  0  0  0  0
 37 43  1  0  0  0  0
 11 43  1  0  0  0  0
 43 44  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309052209362D          

 44 46  0  0  0  0            999 V2000
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   -0.7622   -0.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0477   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812   -1.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0957   -1.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4767   -0.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9491   -0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3616    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9491    1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3616    1.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9491    2.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1866    1.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4514   -0.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9536   -0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2136   -1.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3437   -1.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0581   -2.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726   -1.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0581   -3.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3437   -3.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3437   -4.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0581   -4.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0581   -5.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726   -4.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4871   -4.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726   -3.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754   -1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5218   -1.8361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6892   -2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027   -3.1052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8712   -2.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587   -2.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8712   -3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587   -4.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8712   -5.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337   -4.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  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
  8 10  1  0  0  0  0
  4 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  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 25 32  1  0  0  0  0
 22 33  1  0  0  0  0
 11 33  1  0  0  0  0
 33 34  2  0  0  0  0
 22 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 37 43  1  0  0  0  0
 11 43  1  0  0  0  0
 43 44  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0209980

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCCC(C(C)=C)C12CC(CC=C(C)C)C(C)(C)C(C(=O)C3=CC=C(O)C(O)=C3)(C(O)=C(CC=C(C)C)C1=O)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C38H50O6/c1-22(2)12-11-13-29(25(7)8)37-21-27(17-14-23(3)4)36(9,10)38(35(37)44,32(41)26-16-19-30(39)31(40)20-26)34(43)28(33(37)42)18-15-24(5)6/h12,14-16,19-20,27,29,39-40,43H,7,11,13,17-18,21H2,1-6,8-10H3

> <INCHI_KEY>
MXBCCSNDNNBKHG-UHFFFAOYSA-N

> <FORMULA>
C38H50O6

> <MOLECULAR_WEIGHT>
602.812

> <EXACT_MASS>
602.36073933

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
67.92432654870277

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

> <JCHEM_LOGP>
9.140703430333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.847061463605793

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2589529045588757

> <JCHEM_PKA_STRONGEST_BASIC>
-6.328343710924178

> <JCHEM_POLAR_SURFACE_AREA>
111.9

> <JCHEM_REFRACTIVITY>
180.58399999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

> <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      -2.756   1.721   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.423   0.951   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.089   1.721   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.423  -0.589   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.089  -1.359   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.245  -0.589   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.578  -1.359   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.578  -2.899   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.912  -3.669   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.245  -3.669   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.756  -1.359   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.978  -0.422   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.505  -0.623   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.275   0.711   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.505   2.045   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.275   3.378   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.505   4.712   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -7.815   3.378   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.443  -1.845   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -7.380  -0.623   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -7.865  -2.434   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.242  -3.371   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -7.575  -4.141   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -8.909  -3.371   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -7.575  -5.681   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.242  -6.451   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.242  -7.991   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -7.575  -8.761   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -7.575 -10.301   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -8.909  -7.991   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -10.243  -8.761   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -8.909  -6.451   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.247  -2.801   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -2.841  -3.427   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -5.020  -4.309   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -5.418  -5.796   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -3.493  -4.108   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.723  -5.442   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -3.493  -6.775   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -2.723  -8.109   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -3.493  -9.443   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -1.183  -8.109   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -2.555  -2.886   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -1.068  -3.285   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   11                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    4   12   33   43                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   13   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19   23   33   35                                             
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   32                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   25                                                       
CONECT   33   22   11   34                                                  
CONECT   34   33                                                            
CONECT   35   22   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   43                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
CONECT   43   37   11   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₅₀O₆

Average Mass

602.8120 Da

Monoisotopic Mass

602.36074 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)=CCCC(C(C)=C)C12CC(CC=C(C)C)C(C)(C)C(C(=O)C3=CC=C(O)C(O)=C3)(C(O)=C(CC=C(C)C)C1=O)C2=O

InChI Identifier

InChI=1S/C38H50O6/c1-22(2)12-11-13-29(25(7)8)37-21-27(17-14-23(3)4)36(9,10)38(35(37)44,32(41)26-16-19-30(39)31(40)20-26)34(43)28(33(37)42)18-15-24(5)6/h12,14-16,19-20,27,29,39-40,43H,7,11,13,17-18,21H2,1-6,8-10H3

InChI Key

MXBCCSNDNNBKHG-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
Garcinia dulcis	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione (NP0209980)

MOL for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)

3D MOL for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)

3D SDF for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)

3D-SDF for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)

PDB for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)

3D PDB for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)

SMILES for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)

INCHI for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)

Structure for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)

3D Structure for NP0209980 (5-(3,4-dihydroxybenzoyl)-1-(2,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-6,6-dimethyl-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione)