NP-MRD: Showing NP-Card for 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one (NP0225665)

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Record Information

Version

2.0

Created at

2022-09-06 04:27:17 UTC

Updated at

2022-09-06 04:27:18 UTC

NP-MRD ID

NP0225665

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

Description

Isomargaritene, also known as semiaquilinoside, belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Isomargaritene is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Isomargaritene has been detected, but not quantified in, fruits. 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one is found in Citrus japonica. This could make isomargaritene a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02241218092D          

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M  END

     RDKit          3D

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M  END


  Mrv0541 02241218092D          

 42 46  0  0  0  0            999 V2000
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   -3.2162    3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -1.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6434   -2.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -1.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2162   -1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9298   -0.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6448   -1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6448   -1.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9298   -2.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2162   -1.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012   -2.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -2.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9298   -3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 10  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
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  1  0  0  0  0
 37 38  1  0  0  0  0
 37 42  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0225665

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3

> <INCHI_KEY>
JIKPWRRUSIBFLE-UHFFFAOYSA-N

> <FORMULA>
C28H32O14

> <MOLECULAR_WEIGHT>
592.5453

> <EXACT_MASS>
592.179205732

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
59.21605591530775

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
0.03

> <JCHEM_LOGP>
-0.628663394333332

> <ALOGPS_LOGS>
-2.32

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.896096728858526

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.19788719142355

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9791928464140778

> <JCHEM_POLAR_SURFACE_AREA>
225.05999999999997

> <JCHEM_REFRACTIVITY>
141.38410000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.85e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       4.666  -1.928   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.666  -3.468   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.001  -4.238   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.336  -3.468   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.336  -1.928   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.001  -1.158   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.999   2.692   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.999   1.152   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.334   0.382   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.334  -1.158   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.999  -1.928   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -0.667   2.692   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.667   1.152   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.665   0.382   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.665  -1.158   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.667  -1.928   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.002  -1.158   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.002   0.382   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.334   1.152   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -3.334   2.692   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.669  -1.158   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.669   0.382   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.004   1.152   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -7.336   0.382   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -7.336   3.465   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -6.004   2.692   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.669   3.465   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.669   5.005   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -6.004   5.775   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -3.334  -1.928   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       8.668  -4.238   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      10.003  -3.468   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -6.004  -1.928   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -7.336  -1.158   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -8.670  -1.928   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -8.670  -3.468   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -7.336  -4.238   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -6.004  -3.468   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.669  -4.238   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0     -10.003  -1.158   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0     -10.003  -4.238   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -7.336  -5.775   0.000  0.00  0.00           O+0
CONECT    1    2    6   10                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   31                                                  
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    8                                                            
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    1    9   11                                                  
CONECT   11   10   15                                                       
CONECT   12   13                                                            
CONECT   13   12   14   18                                                  
CONECT   14    8   13   15                                                  
CONECT   15   11   14   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   30                                                  
CONECT   18   13   17   19                                                  
CONECT   19   18   20   22                                                  
CONECT   20   19   27                                                       
CONECT   21   22   33                                                       
CONECT   22   19   21   23                                                  
CONECT   23   22   24   26                                                  
CONECT   24   23                                                            
CONECT   25   26                                                            
CONECT   26   23   25   27                                                  
CONECT   27   20   26   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   17                                                            
CONECT   31    4   32                                                       
CONECT   32   31                                                            
CONECT   33   21   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37   41                                                  
CONECT   37   36   38   42                                                  
CONECT   38   33   37   39                                                  
CONECT   39   38                                                            
CONECT   40   35                                                            
CONECT   41   36                                                            
CONECT   42   37                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Value	Source
Semiaquilinoside	HMDB

Chemical Formula

C₂₈H₃₂O₁₄

Average Mass

592.5453 Da

Monoisotopic Mass

592.17921 Da

IUPAC Name

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Traditional Name

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1

InChI Identifier

InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3

InChI Key

JIKPWRRUSIBFLE-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
Citrus japonica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid C-glycosides

Alternative Parents

Substituents

Flavonoid c-glycoside
4p-methoxyflavonoid-skeleton
Hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Phenolic glycoside
O-glycosyl compound
Glycosyl compound
Disaccharide
Chromone
C-glycosyl compound
1-benzopyran
Benzopyran
Methoxybenzene
Anisole
Phenol ether
Phenoxy compound
Pyranone
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Ether
Dialkyl ether
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Primary alcohol
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	0.03	ALOGPS
logP	-0.63	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	6.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	225.06 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	141.38 m³·mol⁻¹	ChemAxon
Polarizability	59.22 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

HMDB0037415

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016462

KNApSAcK ID

C00006271

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

74977542

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one (NP0225665)

MOL for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)

3D MOL for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)

3D SDF for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)

3D-SDF for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)

PDB for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)

3D PDB for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)

SMILES for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)

INCHI for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)

Structure for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)

3D Structure for NP0225665 (6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one)