NP-MRD: Showing NP-Card for (5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate (NP0286304)

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Record Information

Version

2.0

Created at

2022-09-09 14:49:20 UTC

Updated at

2022-09-09 14:49:20 UTC

NP-MRD ID

NP0286304

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate

Description

(5-Hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]Dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. (5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate is found in Veronica cymbalaria. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit (5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]Dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241518132D          

 37 41  0  0  0  0            999 V2000
    6.0394    5.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0141    4.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2873    3.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    3.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5351    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8336    3.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    3.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5858    4.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112    5.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3380    5.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068    2.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054    3.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815    1.9191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547    1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1467    0.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2764    4.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3078    4.7590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 37  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

     RDKit          3D

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1533004241518132D          

 37 41  0  0  0  0            999 V2000
    6.0394    5.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0141    4.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  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  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  0  0  0  0
 24 37  1  0  0  0  0
 15 37  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0286304

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1OC)C(=O)OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C21

> <INCHI_IDENTIFIER>
InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)34-9-24-15-11(16(26)20(24)37-24)5-6-33-22(15)36-23-19(29)18(28)17(27)14(8-25)35-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3

> <INCHI_KEY>
ZSVGHBSAINKGKE-UHFFFAOYSA-N

> <FORMULA>
C24H30O13

> <MOLECULAR_WEIGHT>
526.491

> <EXACT_MASS>
526.168641026

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
51.13281568976247

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate

> <ALOGPS_LOGP>
-0.22

> <JCHEM_LOGP>
-1.2518462923333327

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.107361024996717

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.195332440710967

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810847601929344

> <JCHEM_POLAR_SURFACE_AREA>
186.13

> <JCHEM_REFRACTIVITY>
119.93990000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.09e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      11.274   9.576   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      11.226   8.036   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.870   7.308   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.822   5.768   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.466   5.040   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.156   5.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.203   7.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.560   8.118   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.607   9.658   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.964  10.386   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.799   5.122   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.490   5.932   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       5.752   3.582   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.395   2.854   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.348   1.314   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.874   1.107   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.931  -0.111   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.755  -1.106   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.869  -2.642   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.446  -0.295   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.967  -0.726   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.145   0.339   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.221   1.835   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.700   2.266   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.066   3.762   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.954   4.827   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -0.524   4.396   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -1.637   5.461   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.115   5.031   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -3.482   3.535   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -1.270   6.957   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -2.383   8.022   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.208   7.388   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.575   8.883   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.320   6.323   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.799   6.753   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.812   1.201   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    6   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17   37                                             
CONECT   16   15   17                                                       
CONECT   17   16   15   18                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   37                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   37                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   35                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   26   36                                                  
CONECT   36   35                                                            
CONECT   37   24   15   20                                                  
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Value	Source
(5-Hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0,]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoic acid	Generator
(5-Hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoic acid	Generator

Chemical Formula

C₂₄H₃₀O₁₃

Average Mass

526.4910 Da

Monoisotopic Mass

526.16864 Da

IUPAC Name

(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate

Traditional Name

(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1OC)C(=O)OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C21

InChI Identifier

InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)34-9-24-15-11(16(26)20(24)37-24)5-6-33-22(15)36-23-19(29)18(28)17(27)14(8-25)35-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3

InChI Key

ZSVGHBSAINKGKE-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
Veronica cymbalaria	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Hydrolyzable tannins

Direct Parent

Hydrolyzable tannins

Alternative Parents

Substituents

Hydrolyzable tannin
Hexose monosaccharide
M-methoxybenzoic acid or derivatives
Glycosyl compound
O-glycosyl compound
P-methoxybenzoic acid or derivatives
Benzoate ester
Dimethoxybenzene
O-dimethoxybenzene
Benzoic acid or derivatives
Benzoyl
Phenol ether
Methoxybenzene
Phenoxy compound
Anisole
Alkyl aryl ether
Benzenoid
Oxane
Monosaccharide
Monocyclic benzene moiety
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Acetal
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Polyol
Dialkyl ether
Oxirane
Monocarboxylic acid or derivatives
Ether
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Primary alcohol
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	-0.22	ALOGPS
logP	-1.3	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	186.13 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	119.94 m³·mol⁻¹	ChemAxon
Polarizability	51.13 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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate (NP0286304)

MOL for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)

3D MOL for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)

3D SDF for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)

3D-SDF for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)

PDB for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)

3D PDB for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)

SMILES for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)

INCHI for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)

Structure for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)

3D Structure for NP0286304 ((5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoate)