Pelargonidin

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Systematic / IUPAC Name: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium

ID: Reference902

Other Names: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium;
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenylium;
1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-;
Pelargonidine

Formula: C15H11O5 +

Class: Endogenous Metabolites

Spectral Data

Pelargonidin 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 88
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 3/26/2015 8:49:55 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1
InChI Key XVFMGWDSJLBXDZ-UHFFFAOYSA-O
Canonical SMILES C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O
CAS 7690519
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Other Names 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium;
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenylium;
1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-;
Pelargonidine

In Other Databases

ChEBI CHEBI:25863
PubChem 440832
KEGG C05904
ChemIDPlus 007690519
ChEMBL CHEMBL1197905
Wikipedia Pelargonidin
ChemSpider 389676