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CHEBI:8115 - Phomenone

ChEBI IDCHEBI:8115
ChEBI NamePhomenone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILES[H][C@]12O[C@@]1(C(=C)CO)C(=O)C=C1CC[C@@H](O)[C@H](C)[C@]12C
InChIInChI=1S/C15H20O4/c1-8(7-16)15-12(18)6-10-4-5-11(17)9(2)14(10,3)13(15)19-15/h6,9,11,13,16-17H,1,4-5,7H2,2-3H3/t9-,11+,13+,14+,15-/m0/s1
InChIKeyWKZMDQXEUJZALS-OANMRLRGSA-N
ChEBI Ontology
Outgoing Relation(s)
Phomenone (CHEBI:8115) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
PhomenoneKEGG COMPOUND
Manual XrefsDatabases
C09708KEGG COMPOUND
C00003171KNApSAcK
Registry NumbersSources
CAS:55785-58-5KEGG COMPOUND