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CHEBI:18429 - dehydrovomifoliol

ChEBI IDCHEBI:18429
ChEBI Namedehydrovomifoliol
Stars
DefinitionA fenchane monoterpenoid that is substituted by methyl groups at positions 3, 5, and 5, and by both a hydroxy group and a 3-oxobut-1-en-1-yl group at position 4.
Secondary ChEBI IDsCHEBI:70, CHEBI:11088, CHEBI:18465
Last Modified21 August 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H18O3
Net Charge0
Average Mass222.284
Monoisotopic Mass222.12559
SMILESCC(=O)/C=C/C1(O)C(C)=CC(=O)CC1(C)C
InChIInChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+
InChIKeyJJRYPZMXNLLZFH-AATRIKPKSA-N
ChEBI Ontology
Outgoing Relation(s)
dehydrovomifoliol (CHEBI:18429) is a enone (CHEBI:51689)
dehydrovomifoliol (CHEBI:18429) is a fenchane monoterpenoid (CHEBI:36739)
Incoming Relation(s)
(6R)-dehydrovomifoliol (CHEBI:49177) is a dehydrovomifoliol (CHEBI:18429)
(6S)-dehydrovomifoliol (CHEBI:4372) is a dehydrovomifoliol (CHEBI:18429)
IUPAC Name 
4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
Synonyms  Source
(+/-)-6-Hydroxy-3-oxo-alpha-iononeKEGG COMPOUND
6-hydroxy-3-oxo-α-iononeChEBI
(6RS)-6-hydroxy-9-apo-ε-carotene-3,9-dioneJCBN
(+/-)-6-hydroxy-3-oxo-alpha-iononeChEBI
Manual XrefsDatabases
C04223KEGG COMPOUND
Registry NumbersSources
Beilstein:2050826Beilstein