NP-MRD: Showing NP-Card for 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one (NP0256431)

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Record Information

Version

2.0

Created at

2022-09-07 21:15:29 UTC

Updated at

2022-09-07 21:15:30 UTC

NP-MRD ID

NP0256431

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

Description

Quercetin 3-O-alpha-L-fucopyranoside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one is found in Allium fistulosum, Asparagus officinalis, Camellia sinensis, Carya illinoinensis, Combretum apiculatum, Empetrum nigrum, Ginkgo biloba, Lens culinaris, Malus domestica, Malus pumila, Olea europaea, Phaseolus vulgaris, Psorospermum androsaemifolium, Thuja plicata and Vitis vinifera. Quercetin 3-O-alpha-L-fucopyranoside is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI

5359430
  Mrv0541 02271202032D          

 32 35  0  0  1  0            999 V2000
    4.9509   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1079   -1.0598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5779    1.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.2688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2365   -2.6813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5220   -1.4438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9509   -2.2688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2365   -1.0313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6655   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    0.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16  2  1  6  0  0  0
  2 18  1  0  0  0  0
 12  3  1  1  0  0  0
 13  4  1  1  0  0  0
 14  5  1  6  0  0  0
  6 19  1  0  0  0  0
  6 22  1  0  0  0  0
  7 20  2  0  0  0  0
  8 24  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 28 29  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END

5359430
  Mrv0541 02271202032D          

 32 35  0  0  1  0            999 V2000
    4.9509   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1079   -1.0598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5779    1.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.2688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2365   -2.6813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5220   -1.4438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9509   -2.2688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2365   -1.0313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6655   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    0.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16  2  1  6  0  0  0
  2 18  1  0  0  0  0
 12  3  1  1  0  0  0
 13  4  1  1  0  0  0
 14  5  1  6  0  0  0
  6 19  1  0  0  0  0
  6 22  1  0  0  0  0
  7 20  2  0  0  0  0
  8 24  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 28 29  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0256431

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1

> <INCHI_KEY>
OXGUCUVFOIWWQJ-XIMSSLRFSA-N

> <FORMULA>
C21H20O11

> <MOLECULAR_WEIGHT>
448.3769

> <EXACT_MASS>
448.100561482

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
42.60204030308654

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
1.31

> <JCHEM_LOGP>
0.9020746706666665

> <ALOGPS_LOGS>
-2.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.45113489660612

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.433961915812727

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612200408172593

> <JCHEM_POLAR_SURFACE_AREA>
186.37

> <JCHEM_REFRACTIVITY>
107.7318

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.79e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 5359430                                           
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1  O   UNK     0       9.242  -2.695   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       7.908  -0.385   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       5.241  -5.005   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       7.908  -6.545   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.241  -1.925   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      10.576   2.695   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      10.576  -1.925   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      13.268  -1.978   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      16.012   2.732   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.574   6.545   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       3.907   5.005   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.574  -4.235   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.908  -5.005   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.574  -2.695   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.242  -4.235   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.908  -1.925   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.576  -5.005   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.242   0.385   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.242   1.925   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.576  -0.385   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.909   0.385   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.909   1.925   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.908   2.695   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.286  -0.438   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.286   2.748   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.908   4.235   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.574   1.925   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.681   0.353   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      14.681   1.957   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.574   5.005   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.241   2.695   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.241   4.235   0.000  0.00  0.00           C+0
CONECT    1   15   16                                                       
CONECT    2   16   18                                                       
CONECT    3   12                                                            
CONECT    4   13                                                            
CONECT    5   14                                                            
CONECT    6   19   22                                                       
CONECT    7   20                                                            
CONECT    8   24                                                            
CONECT    9   29                                                            
CONECT   10   30                                                            
CONECT   11   32                                                            
CONECT   12    3   13   14                                                  
CONECT   13    4   12   15                                                  
CONECT   14    5   12   16                                                  
CONECT   15    1   13   17                                                  
CONECT   16    1    2   14                                                  
CONECT   17   15                                                            
CONECT   18    2   19   20                                                  
CONECT   19    6   18   23                                                  
CONECT   20    7   18   21                                                  
CONECT   21   20   22   24                                                  
CONECT   22    6   21   25                                                  
CONECT   23   19   26   27                                                  
CONECT   24    8   21   28                                                  
CONECT   25   22   29                                                       
CONECT   26   23   30                                                       
CONECT   27   23   31                                                       
CONECT   28   24   29                                                       
CONECT   29    9   25   28                                                  
CONECT   30   10   26   32                                                  
CONECT   31   27   32                                                       
CONECT   32   11   30   31                                                  
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

View in JSmol

Synonyms

Value	Source
Quercetin 3-O-a-L-fucopyranoside	Generator
Quercetin 3-O-α-L-fucopyranoside	Generator

Chemical Formula

C₂₁H₂₀O₁₁

Average Mass

448.3769 Da

Monoisotopic Mass

448.10056 Da

IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1

InChI Key

OXGUCUVFOIWWQJ-XIMSSLRFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Allium fistulosum	LOTUS Database	35616633
Asparagus officinalis	LOTUS Database	35616633
Camellia sinensis	LOTUS Database	35616633
Carya illinoinensis	LOTUS Database	35616633
Combretum apiculatum	LOTUS Database	35616633
Empetrum nigrum	LOTUS Database	35616633
Ginkgo biloba	LOTUS Database	35616633
Lens culinaris	LOTUS Database	35616633
Malus domestica	LOTUS Database	35616633
Malus pumila	LOTUS Database	35616633
Olea europaea	LOTUS Database	35616633
Phaseolus vulgaris	LOTUS Database	35616633
Psorospermum androsaemifolium	LOTUS Database	35616633
Thuja plicata	LOTUS Database	35616633
Vitis vinifera	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Catechol
1-hydroxy-2-unsubstituted benzenoid
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Monosaccharide
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

monosaccharide derivative (CHEBI:75863 )
tetrahydroxyflavone (CHEBI:75863 )
quercetin O-glycoside (CHEBI:75863 )
alpha-L-fucoside (CHEBI:75863 )

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	1.31	ALOGPS
logP	0.9	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.37 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	107.73 m³·mol⁻¹	ChemAxon
Polarizability	42.6 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	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

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

5359430

PDB ID

Not Available

ChEBI ID

75863

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one (NP0256431)

MOL for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)

3D MOL for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)

3D SDF for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)

3D-SDF for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)

PDB for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)

3D PDB for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)

SMILES for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)

INCHI for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)

Structure for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)

3D Structure for NP0256431 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one)