NP-MRD: Showing NP-Card for (2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one (NP0256210)

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Record Information

Version

2.0

Created at

2022-09-07 20:57:10 UTC

Updated at

2022-09-07 20:57:10 UTC

NP-MRD ID

NP0256210

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one

Description

(2R,5E,7S)-7-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1S,2S)-2-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review very few articles have been published on (2R,5E,7S)-7-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1S,2S)-2-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072222572D          

 54 56  0  0  1  0            999 V2000
   -2.1880   -2.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5089    0.1070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6805    0.9140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0674    1.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 10  1  0  0  0  0
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 12 24  1  0  0  0  0
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  8 26  1  0  0  0  0
 26 27  1  1  0  0  0
  6 28  1  0  0  0  0
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 28 30  2  0  0  0  0
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 34 35  1  1  0  0  0
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 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
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 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072222572D          

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M  END
> <DATABASE_ID>
NP0256210

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]([C@@H]1CCC[C@]1(C)C(=O)C\C=C(/C)[C@H](O)CC=C(C)C)C(=O)C\C=C(/C)[C@H](CC=C(C)C)O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C42H68O12/c1-22(2)13-17-30(43)24(5)16-20-33(45)42(10)21-11-12-29(42)26(7)31(44)18-15-25(6)32(19-14-23(3)4)53-40-38(50)36(48)39(28(9)52-40)54-41-37(49)35(47)34(46)27(8)51-41/h13-16,26-30,32,34-41,43,46-50H,11-12,17-21H2,1-10H3/b24-16+,25-15+/t26-,27+,28-,29+,30-,32+,34+,35-,36-,37-,38-,39+,40+,41+,42+/m1/s1

> <INCHI_KEY>
AYAPNMKZGPQYJA-WUVIEQOGSA-N

> <FORMULA>
C42H68O12

> <MOLECULAR_WEIGHT>
764.994

> <EXACT_MASS>
764.47107763

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
122

> <JCHEM_AVERAGE_POLARIZABILITY>
83.89675814904444

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,5E,7S)-7-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1S,2S)-2-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one

> <JCHEM_LOGP>
4.967366102333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.501671448995126

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.948271291965057

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3779097184796418

> <JCHEM_POLAR_SURFACE_AREA>
192.44

> <JCHEM_REFRACTIVITY>
207.06800000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,5E,7S)-7-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1S,2S)-2-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.084  -4.241   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.620  -3.765   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.475  -4.795   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.299  -2.258   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.835  -1.782   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.515  -0.276   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.950   0.200   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.270   1.706   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.126   2.737   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.446   4.243   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.698   5.273   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.911   4.719   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.231   6.225   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.086   7.256   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.378   6.780   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.523   7.810   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.987   7.334   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.203   9.317   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.347  10.347   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.262   9.792   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.582  11.299   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.406   8.762   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.871   9.238   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.055   3.688   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.520   4.164   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.735   2.182   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.879   1.152   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -1.659   0.754   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.124   0.278   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.339   2.261   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.483   3.291   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.948   2.815   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -4.268   1.309   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -5.092   3.846   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.772   5.352   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -6.557   3.370   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -7.033   1.905   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.573   1.905   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -9.049   3.370   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -7.803   4.275   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -8.559   5.617   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -7.047   5.617   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -5.507   5.633   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -7.831   6.942   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -9.371   6.926   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0     -10.155   8.252   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -9.399   9.593   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -11.695   8.236   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0     -12.451   6.894   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0     -12.479   9.561   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0     -14.018   9.545   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0     -14.802  10.870   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0     -16.342  10.854   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0     -14.046  12.212   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                                                       
CONECT    6    5    7   28                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   26                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   24                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   14   23                                                  
CONECT   23   22                                                            
CONECT   24   12   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24    8   27                                                  
CONECT   27   26                                                            
CONECT   28    6   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   40                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   36   41   42                                             
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52                                                            
MASTER        0    0    0    0    0    0    0    0   54    0  112    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₆₈O₁₂

Average Mass

764.9940 Da

Monoisotopic Mass

764.47108 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]([C@@H]1CCC[C@]1(C)C(=O)C\C=C(/C)[C@H](O)CC=C(C)C)C(=O)C\C=C(/C)[C@H](CC=C(C)C)O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C42H68O12/c1-22(2)13-17-30(43)24(5)16-20-33(45)42(10)21-11-12-29(42)26(7)31(44)18-15-25(6)32(19-14-23(3)4)53-40-38(50)36(48)39(28(9)52-40)54-41-37(49)35(47)34(46)27(8)51-41/h13-16,26-30,32,34-41,43,46-50H,11-12,17-21H2,1-10H3/b24-16+,25-15+/t26-,27+,28-,29+,30-,32+,34+,35-,36-,37-,38-,39+,40+,41+,42+/m1/s1

InChI Key

AYAPNMKZGPQYJA-WUVIEQOGSA-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 triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Fatty alcohol
Oxane
Fatty acyl
Secondary alcohol
Ketone
Polyol
Acetal
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
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

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

163032253

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one (NP0256210)

MOL for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)

3D MOL for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)

3D SDF for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)

3D-SDF for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)

PDB for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)

3D PDB for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)

SMILES for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)

INCHI for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)

Structure for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)

3D Structure for NP0256210 ((2r,5e,7s)-7-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(1s,2s)-2-[(3e,5r)-5-hydroxy-4,8-dimethylnona-3,7-dienoyl]-2-methylcyclopentyl]-6,10-dimethylundeca-5,9-dien-3-one)