Cyanidin

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Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromenium

ID: Reference904

Other Names: 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium;
2-(3,4-Dihydroxyphenyl)chromene-3,5,7-triol;
3,3',4',5,7-Pentahydroxyflavylium;
Flavylium, 3,3',4',5,7-pentahydroxy- ; more

Formula: C15H11O6 +

Class: Endogenous Metabolites

Spectral Data

Cyanidin 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
No. of Spectral Trees 1
No. of Spectra 325
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/31/2016 11:25:10 AM
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Identificators

InChI InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
InChI Key VEVZSMAEJFVWIL-UHFFFAOYSA-O
Canonical SMILES C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O)O
CAS 13306053
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Other Names 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium;
2-(3,4-Dihydroxyphenyl)chromene-3,5,7-triol;
3,3',4',5,7-Pentahydroxyflavylium;
Flavylium, 3,3',4',5,7-pentahydroxy-;
Cyanidine;
Cyanidol

In Other Databases

HMDb HMDB02708
ChemIDPlus 013306053
KEGG C05905
ChEBI CHEBI:27843
Wikipedia Cyanidin
ChEMBL CHEMBL404515
ChemSpider 114193
PubChem 128861