NP-MRD: Showing NP-Card for (2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol (NP0164904)

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Record Information

Version

2.0

Created at

2022-09-02 23:52:58 UTC

Updated at

2022-09-02 23:52:58 UTC

NP-MRD ID

NP0164904

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol

Description

(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,7,8-triol belongs to the class of organic compounds known as flavan-3-ols. These are flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4. (2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol is found in Prosopis glandulosa. Based on a literature review very few articles have been published on (2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,7,8-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032201522D          

 42 47  0  0  1  0            999 V2000
    0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309032201522D          

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   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 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  2  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 24 31  1  0  0  0  0
 23 32  1  0  0  0  0
 18 32  1  0  0  0  0
 11 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
  8 35  1  0  0  0  0
 35 36  1  0  0  0  0
  9 37  1  0  0  0  0
 37 38  1  0  0  0  0
  6 38  1  0  0  0  0
 38 39  1  1  0  0  0
  5 40  1  0  0  0  0
 40 41  2  0  0  0  0
  2 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0164904

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C(O)=C(O)C(=C2)C1=CC(O)=C(O)C2=C1C[C@H](O)[C@H](O2)C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O12/c31-17-3-1-11(6-19(17)33)27-22(36)8-13-5-15(24(38)26(40)29(13)41-27)14-9-21(35)25(39)30-16(14)10-23(37)28(42-30)12-2-4-18(32)20(34)7-12/h1-7,9,22-23,27-28,31-40H,8,10H2/t22-,23-,27+,28+/m0/s1

> <INCHI_KEY>
RWRTUINVQGEZBY-WLGONLEPSA-N

> <FORMULA>
C30H26O12

> <MOLECULAR_WEIGHT>
578.526

> <EXACT_MASS>
578.142426277

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
58.03996969076111

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,7,8-triol

> <ALOGPS_LOGP>
2.24

> <JCHEM_LOGP>
3.2641935766666657

> <ALOGPS_LOGS>
-4.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.173129468404895

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.727640403767111

> <JCHEM_PKA_STRONGEST_BASIC>
-5.438612348852302

> <JCHEM_POLAR_SURFACE_AREA>
220.75999999999996

> <JCHEM_REFRACTIVITY>
147.0776

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.26e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]-3,4-dihydro-2H-1-benzopyran-3,7,8-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  O   UNK     0       1.334  13.090   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.335  -0.000   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.336  -5.390   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.001   6.930   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -1.334  11.550   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   41                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   40                                                  
CONECT    6    5    7   38                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   35                                                  
CONECT    9    8   10   37                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   33                                                  
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   32                                                  
CONECT   19   18   12   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   32                                                  
CONECT   24   23   25   31                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   24                                                       
CONECT   32   23   18                                                       
CONECT   33   11   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33    8   36                                                  
CONECT   36   35                                                            
CONECT   37    9   38                                                       
CONECT   38   37    6   39                                                  
CONECT   39   38                                                            
CONECT   40    5   41                                                       
CONECT   41   40    2   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₂₆O₁₂

Average Mass

578.5260 Da

Monoisotopic Mass

578.14243 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

O[C@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C(O)=C(O)C(=C2)C1=CC(O)=C(O)C2=C1C[C@H](O)[C@H](O2)C1=CC=C(O)C(O)=C1

InChI Identifier

InChI=1S/C30H26O12/c31-17-3-1-11(6-19(17)33)27-22(36)8-13-5-15(24(38)26(40)29(13)41-27)14-9-21(35)25(39)30-16(14)10-23(37)28(42-30)12-2-4-18(32)20(34)7-12/h1-7,9,22-23,27-28,31-40H,8,10H2/t22-,23-,27+,28+/m0/s1

InChI Key

RWRTUINVQGEZBY-WLGONLEPSA-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
Prosopis glandulosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavan-3-ols. These are flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Flavan-3-ols

Alternative Parents

Substituents

3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
8-hydroxyflavonoid
Hydroxyflavonoid
Flavan-3-ol
Biphenol
1-benzopyran
Chromane
Benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organooxygen 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	2.24	ALOGPS
logS	-4	ALOGPS

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

163039297

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol (NP0164904)

MOL for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D MOL for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D SDF for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D-SDF for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

PDB for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D PDB for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

SMILES for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

INCHI for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

Structure for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)

3D Structure for NP0164904 ((2r,3s)-2-(3,4-dihydroxyphenyl)-6-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl]-3,4-dihydro-2h-1-benzopyran-3,7,8-triol)