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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:69299 - Swerilactone O
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ChEBI Ontology
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ChEBI Name
Swerilactone O
ChEBI ID
CHEBI:69299
Definition
A natural product found in
Swertia mileensis
.
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This entity has been manually annotated by a third party.
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Formula
C13H12O3
Net Charge
0
Average Mass
216.23260
Monoisotopic Mass
216.07864
InChI
InChI=1S/C13H12O3/c1-9(14)5-6-10-3-2-4-12-11(10)7-8-16-13(12)15/h2-6H,7-8H2,1H3/b6-5+
InChIKey
RINHRISDQZMBAU-AATRIKPKSA-N
SMILES
CC(=O)\C=C\c1cccc2C(=O)OCCc12
Metabolite of Species
Details
Swertia mileensis
(NCBI:txid266086)
Found in whole plant
(BTO:0001461)
. 50% and 90% aqueous ethanol extracts See:
PubMed
Roles Classification
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
Swerilactone O (
CHEBI:69299
)
has functional parent
cinnamic acid (
CHEBI:27386
)
Swerilactone O (
CHEBI:69299
)
has role
metabolite (
CHEBI:25212
)
Swerilactone O (
CHEBI:69299
)
is a
olefinic compound (
CHEBI:78840
)
Synonym
Source
5-[(E)-3-oxobut-1-enyl]-3,4-dihydroisochromen-1-one
ChEBI
Citation
Type
Source
21823575
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:2-benzopyran(CHEBI:38444); ISA:styrenes(CHEBI:26799); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:olefinic compound(CHEBI:78840); HFP:acrylic acid(CHEBI:18308); ISA:lactone(CHEBI:25000); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698);