CHEBI:18429 - dehydrovomifoliol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dehydrovomifoliol
ChEBI ID CHEBI:18429
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11088, CHEBI:70, CHEBI:18465
Supplier Information
Download Molfile XML SDF
Formula C13H18O3
Net Charge 0
Average Mass 222.28022
Monoisotopic Mass 222.126
InChI InChI=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+
InChIKey JJRYPZMXNLLZFH-AATRIKPKSA-N
SMILES CC(=O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
ChEBI Ontology
Outgoing dehydrovomifoliol (CHEBI:18429) is a enone (CHEBI:51689)
dehydrovomifoliol (CHEBI:18429) is a fenchane monoterpenoid (CHEBI:36739)
Incoming (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 Sources
(+/-)-6-hydroxy-3-oxo-alpha-ionone ChEBI
(+/-)-6-Hydroxy-3-oxo-alpha-ionone KEGG COMPOUND
(6RS)-6-hydroxy-9-apo-ε-carotene-3,9-dione JCBN
6-hydroxy-3-oxo-α-ionone ChEBI
Manual Xref Database
C04223 KEGG COMPOUND
View more database links
Registry Number Type Source
2050826 Beilstein Registry Number Beilstein
Last Modified
21 August 2017