CHEBI:66738 - Petasiformin A

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ChEBI Name Petasiformin A
ChEBI ID CHEBI:66738
Definition A natural product found in Petasites formosanus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H16O6S
Net Charge 0
Average Mass 312.33800
Monoisotopic Mass 312.06676
InChI InChI=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+
InChIKey AVUZOEYGJPUQDM-VMPITWQZSA-N
SMILES CC(C)=CCc1cc(ccc1OS(O)(=O)=O)\C=C\C(O)=O
Metabolite of Species Details
Petasites formosanus (IPNI:237361-1) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Petasiformin A (CHEBI:66738) has role metabolite (CHEBI:25212)
Petasiformin A (CHEBI:66738) is a cinnamic acids (CHEBI:23252)
Synonyms Sources
3-[3-(3-Methyl-2-buten-1-yl)-4-(sulfooxy)phenyl]acrylic acid ChEBI
4-O-Sulfonyl-3-prenyl-p-coumaric acid ChEBI
Citation Waiting for Citations Type Source
15340211 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:aryl sulfate(CHEBI:37919); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:sulfuric ester(CHEBI:26819); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);