CHEBI:88770 - Megastigmatrienone

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ChEBI Name Megastigmatrienone ChEBI ID CHEBI:88770 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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