Daidzin

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

ID: Reference5870

Other Names: 7-O-B-D-Glucopyranoside;
Daidzein 7-O-β-D-glucoside;
Daidzein 7-O-glucoside;
Daidzein 7-glucoside;
Daidzein-7-O-β-D-glucopyranoside ; more

Formula: C21H20O9

Class: Endogenous Metabolites

Spectral Data

Daidzin 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/31/2016 2:21:22 PM
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Identificators

InChI InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChI Key KYQZWONCHDNPDP-QNDFHXLGSA-N
Canonical SMILES C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
CAS 552669
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Other Names 7-O-B-D-Glucopyranoside;
Daidzein 7-O-β-D-glucoside;
Daidzein 7-O-glucoside;
Daidzein 7-glucoside;
Daidzein-7-O-β-D-glucopyranoside;
Daidzoside;
DZN;
3-(4-Hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;
3-(4-Hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one;
3-(4-Hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one;
7-(β-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;
7-(β-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one;
NPI 031D

In Other Databases

ChEBI CHEBI:42202
ChemSpider 97088
ChemIDPlus 000552669
ChEMBL CHEMBL486422
HMDb HMDB33991
Wikipedia Daidzin
KEGG C10216
PubChem 107971
DrugBank DB02115