Genistin

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Systematic / IUPAC Name: 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

ID: Reference3405

Other Names: Genistein 7-O-β-D-glucoside;
Genistein 7-glucoside;
Genistein glucoside;
Genistein, 7-β-D-glucopyranoside;
Genistein, 7-O-β-D-glucoside ; more

Formula: C21H20O10

Class: Endogenous Metabolites

Spectral Data

Genistin 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; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 714
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 11/1/2016 11:50:21 AM
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Identificators

InChI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
InChI Key ZCOLJUOHXJRHDI-CMWLGVBASA-N
Canonical SMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
CAS 529599
Splash
Other Names Genistein 7-O-β-D-glucoside;
Genistein 7-glucoside;
Genistein glucoside;
Genistein, 7-β-D-glucopyranoside;
Genistein, 7-O-β-D-glucoside;
Genistein-7-O-β-D-glucopyranoside;
Genisteol 7-monoglucoside;
Genistine;
Genistoside;
Glucopyranoside, genistein-7, β-D-;
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-;
5-Hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;
5-Hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one;
4',5,7-Trihydroxyisoflavone 7-D-glucoside;
Isoflavone, 4',5,7-trihydroxy, 7-D-glucoside;
NSC 5112

In Other Databases

ChEBI CHEBI:27514
Wikipedia Genistin
PubChem 5281377
ChemSpider 4444736
KEGG C09126