Glycitein

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Systematic / IUPAC Name: 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one

ID: Reference428

Other Names: 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one;
7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one;
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-

Formula: C16H12O5

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 731
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 11/2/2016 7:11:48 AM
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Identificators

InChI InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChI Key DXYUAIFZCFRPTH-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O
CAS 40957833
Splash
Other Names 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one;
7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one;
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-

In Other Databases

ChemIDPlus 040957833
PubChem 5317750
ChEMBL CHEMBL513024
ChemSpider 4476508
KEGG C14536
HMDb HMDB05781
Wikipedia Glycitein