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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:88770 - Megastigmatrienone
Main
ChEBI Ontology
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ChEBI Name
Megastigmatrienone
ChEBI ID
CHEBI:88770
Stars
This entity has been manually annotated by a third party.
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Formula
C13H18O
Net Charge
0
Average Mass
190.282
Monoisotopic Mass
190.13577
InChI
InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3/b7-6+
InChIKey
YKVWPZJHENXDAJ-VOTSOKGWSA-N
SMILES
C=C/C(=C(/C1C(C)=CC(CC1(C)C)=O)\[H])/[H]
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
ChEBI Ontology
Outgoing
Megastigmatrienone (
CHEBI:88770
)
is a
ketone (
CHEBI:17087
)
Synonyms
Sources
4-(1,3-butadienyl)-3,5,5-trimethylcyclohex-2-en-1-one
HMDB
4-[(1E)-buta-1,3-dien-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
HMDB
4-[(1E)-buta-1,3-dienyl]-3,5,5-trimethylcyclohex-2-en-1-one
HMDB
Manual Xref
Database
HMDB0059906
HMDB
View more database links
Citation
Type
Source
24421258
PubMed citation
Europe PMC