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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:66738 - Petasiformin A
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ChEBI Ontology
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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.
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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 (Br
o
nsted 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
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);