NP-MRD: Showing NP-Card for 4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate (NP0315600)

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Record Information

Version

2.0

Created at

2022-09-11 14:18:53 UTC

Updated at

2022-09-11 14:18:53 UTC

NP-MRD ID

NP0315600

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate

Description

2-[3,5-Dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin. 2-[3,5-Dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161506502D          

 44 48  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004161506502D          

 44 48  0  0  0  0            999 V2000
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   -5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 12 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
  4 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 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
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 33 41  1  0  0  0  0
 29 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 25 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0315600

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H22O15/c30-15-7-13(42-28(40)11-3-16(31)24(38)17(32)4-11)8-23-14(15)9-22(37)26(43-23)10-1-20(35)27(21(36)2-10)44-29(41)12-5-18(33)25(39)19(34)6-12/h1-8,22,26,30-39H,9H2

> <INCHI_KEY>
DALCFFHLKBFKBK-UHFFFAOYSA-N

> <FORMULA>
C29H22O15

> <MOLECULAR_WEIGHT>
610.48

> <EXACT_MASS>
610.095870008

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
59.01958947311736

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
3.05

> <JCHEM_LOGP>
4.900151232333333

> <ALOGPS_LOGS>
-4.23

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.35209628129002

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.757531310036888

> <JCHEM_PKA_STRONGEST_BASIC>
-4.070027384699007

> <JCHEM_POLAR_SURFACE_AREA>
264.12999999999994

> <JCHEM_REFRACTIVITY>
147.50999999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.60e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      14.670  -2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      14.670  -5.390   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      12.003  -6.930   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -9.336 -10.010   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   22                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   21                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   12                                                       
CONECT   21    8   22                                                       
CONECT   22   21    4   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23    2   25                                                  
CONECT   25   24   26   44                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   42                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   41                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   33                                                       
CONECT   42   29   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   25                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

View in JSmol

Synonyms

Value	Source
2-[3,5-Dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoic acid	Generator

Chemical Formula

C₂₉H₂₂O₁₅

Average Mass

610.4800 Da

Monoisotopic Mass

610.09587 Da

IUPAC Name

2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate

Traditional Name

2-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate

CAS Registry Number

Not Available

SMILES

OC1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1

InChI Identifier

InChI=1S/C29H22O15/c30-15-7-13(42-28(40)11-3-16(31)24(38)17(32)4-11)8-23-14(15)9-22(37)26(43-23)10-1-20(35)27(21(36)2-10)44-29(41)12-5-18(33)25(39)19(34)6-12/h1-8,22,26,30-39H,9H2

InChI Key

DALCFFHLKBFKBK-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Catechin gallates

Alternative Parents

Substituents

Catechin gallate
Hydrolyzable tannin
Epigallocatechin
Depside backbone
3'-hydroxyflavonoid
3-hydroxyflavonoid
5-hydroxyflavonoid
Hydroxyflavonoid
Tannin
Galloyl ester
Gallic acid or derivatives
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
1-benzopyran
Benzoate ester
Phenol ester
Chromane
Benzopyran
Benzenetriol
Pyrogallol derivative
Benzoic acid or derivatives
Phenoxy compound
Resorcinol
Benzoyl
Alkyl aryl ether
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Organic oxygen compound
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	3.05	ALOGPS
logP	4.9	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	7.76	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	264.13 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	147.51 m³·mol⁻¹	ChemAxon
Polarizability	59.02 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

74977182

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate (NP0315600)

MOL for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)

3D MOL for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)

3D SDF for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)

3D-SDF for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)

PDB for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)

3D PDB for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)

SMILES for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)

INCHI for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)

Structure for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)

3D Structure for NP0315600 (4-[3,5-dihydroxy-7-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6-dihydroxyphenyl 3,4,5-trihydroxybenzoate)