NP-MRD: Showing NP-Card for 1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone (NP0219720)

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Record Information

Version

2.0

Created at

2022-09-05 20:48:57 UTC

Updated at

2022-09-05 20:48:57 UTC

NP-MRD ID

NP0219720

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone

Description

Castavinol belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol. Thus their formation leads to a wine color loss. Castavinols are natural phenolic compounds found in red wines. Castavinol is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, castavinol has been detected, but not quantified in, alcoholic beverages. This could make castavinol a potential biomarker for the consumption of these foods. 1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone is found in Vitis vinifera. These molecules are colorless and are derived from anthocyanin pigments.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02241216512D          

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M  END

     RDKit          3D

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  Mrv0541 02241216512D          

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   -1.7038    2.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5996    3.7712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5684   -2.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  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 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  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 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 39  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 38  1  0  0  0  0
 30 31  1  0  0  0  0
 30 37  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0219720

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O13/c1-10(28)25(2)19-18-14(31)7-12(29)8-16(18)38-26(39-25,11-4-5-13(30)15(6-11)35-3)23(19)37-24-22(34)21(33)20(32)17(9-27)36-24/h4-8,17,19-24,27,29-34H,9H2,1-3H3

> <INCHI_KEY>
JRJMBDKZBKOKEW-UHFFFAOYSA-N

> <FORMULA>
C26H30O13

> <MOLECULAR_WEIGHT>
550.5086

> <EXACT_MASS>
550.168641046

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
53.29923891671697

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethan-1-one

> <ALOGPS_LOGP>
1.17

> <JCHEM_LOGP>
0.5643668976666665

> <ALOGPS_LOGS>
-2.50

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.830212998262683

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.951105941187526

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835703822036

> <JCHEM_POLAR_SURFACE_AREA>
204.82999999999998

> <JCHEM_REFRACTIVITY>
129.2483

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -5.324  -2.419   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.324  -3.959   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.994  -4.729   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.664  -3.959   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.664  -2.419   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.994  -1.654   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.332  -4.729   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.003  -3.959   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.003  -2.419   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.332  -1.654   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -6.661  -4.729   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -3.994  -0.114   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.335  -4.729   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.335  -6.269   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.664  -7.040   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.997  -6.269   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.997  -4.729   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.664  -3.964   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.777   0.410   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.107  -1.896   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.777   1.950   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.261   0.810   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.326  -3.959   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.334  -7.040   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.261   2.350   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.596   1.580   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.343   3.790   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.865   5.256   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.642   5.574   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.679   4.429   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.201   2.964   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.308   2.650   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.902   6.401   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.401   6.080   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.783   1.185   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -2.231   1.821   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -3.180   4.750   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -1.119   7.040   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       6.661  -4.727   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6   10                                                  
CONECT    6    1    5   12                                                  
CONECT    7    4    8                                                       
CONECT    8    7    9   13   20                                             
CONECT    9    8   10   35                                                  
CONECT   10    5    9   19                                                  
CONECT   11    2                                                            
CONECT   12    6                                                            
CONECT   13    8   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   24                                                  
CONECT   17   16   18   23                                                  
CONECT   18   13   17                                                       
CONECT   19   10   20   21   22                                             
CONECT   20    8   19                                                       
CONECT   21   19                                                            
CONECT   22   19   25   26                                                  
CONECT   23   17   39                                                       
CONECT   24   16                                                            
CONECT   25   22                                                            
CONECT   26   22                                                            
CONECT   27   28   32                                                       
CONECT   28   27   29   33                                                  
CONECT   29   28   30   38                                                  
CONECT   30   29   31   37                                                  
CONECT   31   30   32   36                                                  
CONECT   32   27   31   35                                                  
CONECT   33   28   34                                                       
CONECT   34   33                                                            
CONECT   35    9   32                                                       
CONECT   36   31                                                            
CONECT   37   30                                                            
CONECT   38   29                                                            
CONECT   39   23                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

View in JSmol

Synonyms

Value	Source
N-2-Naphthalenyl-3-pyridinecarboximidamide	HMDB
N-2-Naphthyl-nicotinamidine	HMDB
N-2-Naphthylnicotinamidine	HMDB

Chemical Formula

C₂₆H₃₀O₁₃

Average Mass

550.5086 Da

Monoisotopic Mass

550.16864 Da

IUPAC Name

1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethan-1-one

Traditional Name

1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O

InChI Identifier

InChI=1S/C26H30O13/c1-10(28)25(2)19-18-14(31)7-12(29)8-16(18)38-26(39-25,11-4-5-13(30)15(6-11)35-3)23(19)37-24-22(34)21(33)20(32)17(9-27)36-24/h4-8,17,19-24,27,29-34H,9H2,1-3H3

InChI Key

JRJMBDKZBKOKEW-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
Vitis vinifera	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Catechins

Alternative Parents

Substituents

Catechin
3p-methoxyflavonoid-skeleton
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Chromane
Benzopyran
Methoxyphenol
1-benzopyran
Anisole
Phenoxy compound
Methoxybenzene
Phenol ether
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Ketal
Oxane
Monosaccharide
Monocyclic benzene moiety
Benzenoid
Tetrahydrofuran
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Acetal
Polyol
Ether
Carbonyl group
Hydrocarbon derivative
Primary alcohol
Organic oxygen compound
Alcohol
Organooxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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
logP	1.17	ALOGPS
logP	0.56	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	8.95	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	204.83 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	129.25 m³·mol⁻¹	ChemAxon
Polarizability	53.3 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0029808

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB001019

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Castavinol

METLIN ID

Not Available

PubChem Compound

131750912

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone (NP0219720)

MOL for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)

3D MOL for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)

3D SDF for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)

3D-SDF for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)

PDB for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)

3D PDB for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)

SMILES for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)

INCHI for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)

Structure for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)

3D Structure for NP0219720 (1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-11-yl]ethanone)