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CHEBI:4372 - (6S)-dehydrovomifoliol

ChEBI IDCHEBI:4372
ChEBI Name(6S)-dehydrovomifoliol
Stars
ASCII Name(6S)-dehydrovomifoliol
DefinitionA dehydrovomifoliol that has S-configuration at the chiral centre.
Last Modified13 November 2017
DownloadsMolfile
FormulaC13H18O3
Net Charge0
Average Mass222.284
Monoisotopic Mass222.12559
SMILESCC(=O)/C=C/[C@@]1(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+/t13-/m1/s1
InChIKeyJJRYPZMXNLLZFH-URWSZGRFSA-N
Species of MetaboliteComponentSourceComments
Sanicula lamelligera (ncbitaxon:84533) whole plant (BTO:0001461) PubMed (21561060) 80% aqueous ethanolic extract of dried, powdered whole plant
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(6S)-dehydrovomifoliol (CHEBI:4372) has role plant metabolite (CHEBI:76924)
(6S)-dehydrovomifoliol (CHEBI:4372) is a dehydrovomifoliol (CHEBI:18429)
(6S)-dehydrovomifoliol (CHEBI:4372) is enantiomer of (6R)-dehydrovomifoliol (CHEBI:49177)
Incoming Relation(s)
(6R)-dehydrovomifoliol (CHEBI:49177) is enantiomer of (6S)-dehydrovomifoliol (CHEBI:4372)
IUPAC Name 
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
Synonyms  Source
DehydrovomifoliolKEGG COMPOUND
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-oneIUBMB
(6R)-6-Hydroxy-3-oxo-alpha-iononeKEGG COMPOUND
UniProt Name  Source
(6S)-6-hydroxy-3-oxo-α-iononeUniProt
Manual XrefsDatabases
C02533KEGG COMPOUND
LMPR0103050009LIPID MAPS
Registry NumbersSources
Beilstein:2050827Beilstein
CAS:15764-81-5KEGG COMPOUND