Quercetin

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Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one

ID: Reference27

Other Names: 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one;
3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one;
Sophoretin;
Meletin;
Quercetine ; more

Formula: C15H10O7

Class: Endogenous Metabolites

Spectral Data

Quercetin 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 5
No. of Spectra 2410
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/15/2015 10:24:06 AM
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Identificators

InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChI Key REFJWTPEDVJJIY-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
CAS 117395
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Other Names 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one;
3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one;
Sophoretin;
Meletin;
Quercetine;
Quercetol;
Quercitin;
Quertine;
Flavin meletin;
Cyanidelonon 1522;
Quertin;
CI Natural red 1;
Natural yellow 10;
CI Natural yellow 10;
Que;
Quer

In Other Databases

Wikipedia Quercetin
ChemSpider 4444051
HMDb HMDB05794
ChEBI CHEBI:16243
KEGG C00389
PubChem 5280343
ChemIDPlus 000117395