Isorhamnetin

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Systematic / IUPAC Name: 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

ID: Reference454

Other Names: Isorhamnetine;
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one;
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one;
3-Methylquercetin;
3-Methylquercetine ; more

Formula: C16H12O7

Class: Endogenous Metabolites

Spectral Data

Isorhamnetin 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 3
No. of Spectra 350
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 11/3/2016 8:03:16 AM
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Identificators

InChI InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
InChI Key IZQSVPBOUDKVDZ-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
CAS 480193
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Other Names Isorhamnetine;
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one;
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one;
3-Methylquercetin;
3-Methylquercetine;
4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-;
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-;
3'-O-Methyl quercetin

In Other Databases

KEGG C10084
ChemSpider 4444973; 21238528
ChemIDPlus 000480193; 000603612
ChEMBL CHEMBL379064
HMDb HMDB02655
Wikipedia Isorhamnetin
ChEBI CHEBI:6052
PubChem 5281654