NP-MRD: Showing NP-Card for 2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one (NP0232210)

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Record Information

Version

2.0

Created at

2022-09-06 13:22:18 UTC

Updated at

2022-09-06 13:22:18 UTC

NP-MRD ID

NP0232210

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one

Description

2-(4-{[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone. 2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one is found in Viscum coloratum. Based on a literature review very few articles have been published on 2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062215222D          

 42 46  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309062215222D          

 42 46  0  0  0  0            999 V2000
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    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   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
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760   -4.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4697   -5.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3629   -5.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6178   -5.9382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8109   -4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5955   -3.9425    0.0000 O   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  2  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
  6 29  1  0  0  0  0
  5 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
  3 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  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
 37 41  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0232210

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1OC1OCC(O)(CO)C1O)C1CC(=O)C2=C(O)C=C(OC3CC(CO)C(O)C(O)C3O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C28H34O14/c1-38-19-4-12(2-3-17(19)42-27-26(36)28(37,10-30)11-39-27)18-8-16(32)22-15(31)6-14(7-20(22)41-18)40-21-5-13(9-29)23(33)25(35)24(21)34/h2-4,6-7,13,18,21,23-27,29-31,33-37H,5,8-11H2,1H3

> <INCHI_KEY>
MRDLWNHNBKSFOI-UHFFFAOYSA-N

> <FORMULA>
C28H34O14

> <MOLECULAR_WEIGHT>
594.566

> <EXACT_MASS>
594.194855775

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
59.884200554684085

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

> <JCHEM_LOGP>
-1.405990019666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.810271222613789

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.67732756315891

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1423881698880676

> <JCHEM_POLAR_SURFACE_AREA>
225.05999999999995

> <JCHEM_REFRACTIVITY>
140.03680000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      13.337  -0.000   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -2.755  -7.835   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -3.231  -9.300   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.771  -9.300   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -4.610 -10.831   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -6.277  -9.620   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -6.753 -11.085   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -5.247  -7.835   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -6.712  -7.359   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   32                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   30                                                  
CONECT    6    5    7   29                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   28                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   27                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   25                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   16   26                                                  
CONECT   26   25                                                            
CONECT   27   14   28                                                       
CONECT   28   27   10   29                                                  
CONECT   29   28    6                                                       
CONECT   30    5   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31    3   33                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   41                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39   41                                             
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39                                                            
CONECT   41   37   34   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₄O₁₄

Average Mass

594.5660 Da

Monoisotopic Mass

594.19486 Da

IUPAC Name

2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1OC1OCC(O)(CO)C1O)C1CC(=O)C2=C(O)C=C(OC3CC(CO)C(O)C(O)C3O)C=C2O1

InChI Identifier

InChI=1S/C28H34O14/c1-38-19-4-12(2-3-17(19)42-27-26(36)28(37,10-30)11-39-27)18-8-16(32)22-15(31)6-14(7-20(22)41-18)40-21-5-13(9-29)23(33)25(35)24(21)34/h2-4,6-7,13,18,21,23-27,29-31,33-37H,5,8-11H2,1H3

InChI Key

MRDLWNHNBKSFOI-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
Viscum coloratum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

3'-O-methylated flavonoids

Alternative Parents

Substituents

3p-methoxyflavonoid-skeleton
5-hydroxyflavonoid
Flavanone
Hydroxyflavonoid
Flavan
Phenolic glycoside
Chromone
Glycosyl compound
O-glycosyl compound
Chromane
Benzopyran
Pentose monosaccharide
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
Aryl alkyl ketone
Phenol ether
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Cyclohexanol
Alkyl aryl ether
Monosaccharide
Cyclitol or derivatives
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Tetrahydrofuran
Cyclic alcohol
Tertiary alcohol
Ketone
Secondary alcohol
Organoheterocyclic compound
Acetal
Oxacycle
Polyol
Ether
Hydrocarbon derivative
Primary alcohol
Organic oxygen compound
Organooxygen compound
Alcohol
Organic oxide
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	-1.4	ChemAxon
pKa (Strongest Acidic)	8.68	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	225.06 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	140.04 m³·mol⁻¹	ChemAxon
Polarizability	59.88 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

162934171

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one (NP0232210)

MOL for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D MOL for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D SDF for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D-SDF for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)

PDB for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D PDB for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)

SMILES for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)

INCHI for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)

Structure for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D Structure for NP0232210 (2-(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-2,3-dihydro-1-benzopyran-4-one)