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CHEBI:66738 - Petasiformin A

ChEBI IDCHEBI:66738
ChEBI NamePetasiformin A
Stars
DefinitionA natural product found in Petasites formosanus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC14H16O6S
Net Charge0
Average Mass312.343
Monoisotopic Mass312.06676
SMILESCC(C)=CCc1cc(/C=C/C(=O)O)ccc1OS(=O)(=O)O
InChIInChI=1S/C14H16O6S/c1-10(2)3-6-12-9-11(5-8-14(15)16)4-7-13(12)20-21(17,18)19/h3-5,7-9H,6H2,1-2H3,(H,15,16)(H,17,18,19)/b8-5+
InChIKeyAVUZOEYGJPUQDM-VMPITWQZSA-N
Species of MetaboliteComponentSourceComments
Petasites formosanus (IPNI:237361-1) leaf (BTO:0000713) PubMed (15340211)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Petasiformin A (CHEBI:66738) has role metabolite (CHEBI:25212)
Petasiformin A (CHEBI:66738) is a cinnamic acids (CHEBI:23252)
Synonyms  Source
3-[3-(3-Methyl-2-buten-1-yl)-4-(sulfooxy)phenyl]acrylic acidChEBI
4-O-Sulfonyl-3-prenyl-p-coumaric acidChEBI
Citations