CHEBI:179835 - 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

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ChEBI Name 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
ChEBI ID CHEBI:179835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H22O
Net Charge 0
Average Mass 206.329
Monoisotopic Mass 206.16707
InChI InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
InChIKey JRJBVWJSTHECJK-PKNBQFBNSA-N
SMILES O=C(\C(=C\C1C(CCC=C1C)(C)C)\C)C
ChEBI Ontology
Outgoing 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CHEBI:179835) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Manual Xrefs Databases
4522510 ChemSpider
HMDB0031738 HMDB
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Registry Number Type Source
127-51-5 CAS Registry Number ChemIDplus