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CHEBI:28510 - pelargonidin chloride

ChEBI IDCHEBI:28510
ChEBI Namepelargonidin chloride
Stars
DefinitionAn anthocyanidin chloride that has pelargonidin as the cationic counterpart.
Secondary ChEBI IDCHEBI:7950
Last Modified23 October 2015
DownloadsMolfile
FormulaC15H11O5.Cl
Net Charge0
Average Mass306.701
Monoisotopic Mass306.02950
SMILESOc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1.[Cl-]
InChIInChI=1S/C15H10O5.ClH/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);1H
InChIKeyYPVZJXMTXCOTJN-UHFFFAOYSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
phytoestrogen  Any compound produced by a plant that happens to have estrogenic activity.
ChEBI Ontology
Outgoing Relation(s)
pelargonidin chloride (CHEBI:28510) has part pelargonidin (CHEBI:25863)
pelargonidin chloride (CHEBI:28510) has role phytoestrogen (CHEBI:76989)
pelargonidin chloride (CHEBI:28510) has role plant metabolite (CHEBI:76924)
pelargonidin chloride (CHEBI:28510) is a anthocyanidin chloride (CHEBI:38696)
IUPAC Name 
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium chloride
Synonyms  Source
PelargonidinKEGG COMPOUND
3,4',5,7-Tetrahydroxyflavylium chlorideKEGG COMPOUND
Pelargonidin chlorideKEGG COMPOUND
Pelargonidol chlorideKEGG COMPOUND
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chlorideKEGG COMPOUND
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chlorideChemIDplus
Manual XrefsDatabases
C05904KEGG COMPOUND
PELARGONIDIN-CMPDMetaCyc
HMDB0003263HMDB
Registry NumbersSources
Reaxys:3922945Reaxys
CAS:134-04-3KEGG COMPOUND
CAS:134-04-3ChemIDplus
Citations