Glycitin

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Systematic / IUPAC Name: 3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

ID: Reference6137

Other Names: Glycitein 7-O-glucoside;
3-(4-Hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;
4',7-Dihydroxy-6-methoxyisoflavone-7-D-glucoside;
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-;
7-(β-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

Formula: C22H22O10

Class: Endogenous Metabolites

Spectral Data

Glycitin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1074
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/2/2016 7:12:51 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChI Key OZBAVEKZGSOMOJ-MIUGBVLSSA-N
Canonical SMILES COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
CAS 40246104
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Other Names Glycitein 7-O-glucoside;
3-(4-Hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;
4',7-Dihydroxy-6-methoxyisoflavone-7-D-glucoside;
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-;
7-(β-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

In Other Databases

KEGG C16195
ChemIDPlus 040246104
PubChem 187808
ChEBI CHEBI:80373
ChemSpider 163248