NP-MRD: Showing NP-Card for (2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol (NP0296735)

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Record Information

Version

2.0

Created at

2022-09-10 06:29:58 UTC

Updated at

2022-09-10 06:29:58 UTC

NP-MRD ID

NP0296735

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

(2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol is found in Cistus incanus, Eucalyptus ovata, Psidium guajava, Quercus dentata, Quercus ilex, Quercus phillyraeoides and Vicia faba.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652301212022283D          

 43 48  0  0  0  0            999 V2000
    4.9892   -0.2373    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 43  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652301212022283D          

 43 48  0  0  0  0            999 V2000
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   -5.0340   -1.2820   -4.7948 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0599    0.4964    4.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379    3.4904   -2.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133   -0.7042    3.7524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3451   -1.2818   -3.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7774    1.9605   -1.5161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5925   -0.9408    5.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4080    3.2388    3.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075   -0.9298   -3.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7564    1.7544    5.6326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6713   -1.9777    0.9160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5337   -0.4607   -0.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9229   -1.0933   -1.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  3 16  1  0  0  0  0
  4 11  2  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  2  0  0  0  0
  6 12  2  0  0  0  0
  6 17  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  2  0  0  0  0
  8 13  1  0  0  0  0
  8 21  1  0  0  0  0
  9 15  2  0  0  0  0
  9 18  1  0  0  0  0
 28 10  1  1  0  0  0
 29 11  1  1  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  2  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 23  2  0  0  0  0
 17 35  1  0  0  0  0
 18 24  2  0  0  0  0
 18 36  1  0  0  0  0
 19 26  2  0  0  0  0
 19 37  1  0  0  0  0
 20 26  1  0  0  0  0
 20 38  1  0  0  0  0
 21 28  1  0  0  0  0
 21 39  1  6  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  1  0  0  0  0
 25 24  1  6  0  0  0
 24 30  1  0  0  0  0
 25 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 29  1  0  0  0  0
 27 41  1  1  0  0  0
 28 43  1  0  0  0  0
 29 42  1  0  0  0  0
 30 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0296735

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C([C@H]1[C@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25-,27-,28+,29+/m0/s1

> <INCHI_KEY>
ZYDDITZPGFXQSD-SMSOEIQDSA-N

> <FORMULA>
C30H26O13

> <MOLECULAR_WEIGHT>
594.525

> <EXACT_MASS>
594.137340897

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
58.27116490265608

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.22

> <JCHEM_LOGP>
2.812179691999999

> <ALOGPS_LOGS>
-3.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.074305970542673

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.56418332061728

> <JCHEM_PKA_STRONGEST_BASIC>
-5.176560376570383

> <JCHEM_POLAR_SURFACE_AREA>
240.98999999999995

> <JCHEM_REFRACTIVITY>
148.48890000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.76e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 21-JAN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JAN-20         0                                  
HETATM    1  C   UNK     0       4.989  -0.237   0.510  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.415   0.195   1.744  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.968  -0.963   1.414  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.163  -0.862   3.128  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.072   1.225   2.022  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.670  -1.275  -4.251  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.281  -0.875  -2.577  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.733   0.984  -2.079  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.422   2.687  -1.985  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.753  -0.831   0.295  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.982  -0.169   1.941  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.973  -1.144  -3.874  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.284   1.196  -1.889  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.594   0.048   2.852  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.756   2.477  -2.119  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.367  -0.534   2.684  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.626  -1.139  -3.322  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.450   1.665  -1.625  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.413  -0.232   4.319  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.328   1.860   3.238  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.050  -0.456  -2.142  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.238  -0.736  -1.645  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.932  -0.869  -2.018  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.032   0.385  -1.391  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.826  -0.745  -1.036  0.00  0.00           C+0
HETATM   26  C   UNK     0      -3.497   1.142   4.384  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.218  -0.766   0.374  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.336  -1.246  -1.046  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.687  -0.887   0.677  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.420   0.202  -1.534  0.00  0.00           C+0
HETATM   31  O   UNK     0      -5.034  -1.282  -4.795  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.060   0.496   4.064  0.00  0.00           O+0
HETATM   33  O   UNK     0       2.638   3.490  -2.479  0.00  0.00           O+0
HETATM   34  O   UNK     0       2.513  -0.704   3.752  0.00  0.00           O+0
HETATM   35  O   UNK     0      -0.345  -1.282  -3.776  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.777   1.960  -1.516  0.00  0.00           O+0
HETATM   37  O   UNK     0      -3.592  -0.941   5.511  0.00  0.00           O+0
HETATM   38  O   UNK     0      -3.408   3.239   3.263  0.00  0.00           O+0
HETATM   39  O   UNK     0       3.607  -0.930  -3.406  0.00  0.00           O+0
HETATM   40  O   UNK     0      -3.756   1.754   5.633  0.00  0.00           O+0
HETATM   41  O   UNK     0      -0.671  -1.978   0.916  0.00  0.00           O+0
HETATM   42  O   UNK     0      -3.534  -0.461  -0.324  0.00  0.00           O+0
HETATM   43  O   UNK     0       1.923  -1.093  -1.284  0.00  0.00           O+0
CONECT    1    2   10                                                       
CONECT    2    1   14                                                       
CONECT    3   10   16                                                       
CONECT    4   11   19                                                       
CONECT    5   11   20                                                       
CONECT    6   12   17                                                       
CONECT    7   12   22                                                       
CONECT    8   13   21                                                       
CONECT    9   15   18                                                       
CONECT   10    1    3   28                                                  
CONECT   11    4    5   29                                                  
CONECT   12    6    7   31                                                  
CONECT   13    8   15   30                                                  
CONECT   14    2   16   32                                                  
CONECT   15    9   13   33                                                  
CONECT   16    3   14   34                                                  
CONECT   17    6   23   35                                                  
CONECT   18    9   24   36                                                  
CONECT   19    4   26   37                                                  
CONECT   20    5   26   38                                                  
CONECT   21    8   28   39                                                  
CONECT   22    7   23   42                                                  
CONECT   23   17   22   25                                                  
CONECT   24   18   25   30                                                  
CONECT   25   23   24   27                                                  
CONECT   26   19   20   40                                                  
CONECT   27   25   29   41                                                  
CONECT   28   10   21   43                                                  
CONECT   29   11   27   42                                                  
CONECT   30   13   24   43                                                  
CONECT   31   12                                                            
CONECT   32   14                                                            
CONECT   33   15                                                            
CONECT   34   16                                                            
CONECT   35   17                                                            
CONECT   36   18                                                            
CONECT   37   19                                                            
CONECT   38   20                                                            
CONECT   39   21                                                            
CONECT   40   26                                                            
CONECT   41   27                                                            
CONECT   42   22   29                                                       
CONECT   43   28   30                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₂₆O₁₃

Average Mass

594.5250 Da

Monoisotopic Mass

594.13734 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C([C@H]1[C@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O

InChI Identifier

InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25-,27-,28+,29+/m0/s1

InChI Key

ZYDDITZPGFXQSD-SMSOEIQDSA-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
Cistus incanus	LOTUS Database	35616633
Eucalyptus ovata	LOTUS Database	35616633
Psidium guajava	LOTUS Database	35616633
Quercus dentata	LOTUS Database	35616633
Quercus ilex	LOTUS Database	35616633
Quercus phillyraeoides	LOTUS Database	35616633
Vicia faba	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Substituents

B-type proanthocyanidin
Bi- and polyflavonoid skeleton
Proanthocyanidin
Epigallocatechin
Catechin
3'-hydroxyflavonoid
Flavan-3-ol
Hydroxyflavonoid
3-hydroxyflavonoid
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
Flavan
Chromane
1-benzopyran
Benzopyran
Benzenetriol
Pyrogallol derivative
Catechol
Phenol
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
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

polyphenol (CHEBI:75664 )
proanthocyanidin (CHEBI:75664 )
biflavonoid (CHEBI:75664 )
hydroxyflavan (CHEBI:75664 )

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	2.22	ALOGPS
logP	2.81	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	8.56	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	240.99 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	148.49 m³·mol⁻¹	ChemAxon
Polarizability	58.27 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016774

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Prodelphinidin B3

METLIN ID

Not Available

PubChem Compound

13831063

PDB ID

Not Available

ChEBI ID

75664

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol (NP0296735)

MOL for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D MOL for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D SDF for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D-SDF for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

PDB for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D PDB for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

SMILES for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

INCHI for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

Structure for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)

3D Structure for NP0296735 ((2r,3s,4s)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol)