CHEBI:4372 - (6S)-dehydrovomifoliol

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ChEBI Name (6S)-dehydrovomifoliol
ChEBI ID CHEBI:4372
ChEBI ASCII Name (6S)-dehydrovomifoliol
Definition A dehydrovomifoliol that has S-configuration at the chiral centre.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H18O3
Net Charge 0
Average Mass 222.28022
Monoisotopic Mass 222.12559
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+/t13-/m1/s1
InChIKey JJRYPZMXNLLZFH-URWSZGRFSA-N
SMILES CC(=O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
Metabolite of Species Details
Sanicula lamelligera (NCBI:txid84533) Found in whole plant (BTO:0001461). 80% aqueous ethanolic extract of dried, powdered whole plant See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing (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 (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 Sources
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-one IUBMB
(6R)-6-Hydroxy-3-oxo-alpha-ionone KEGG COMPOUND
(6S)-6-hydroxy-3-oxo-α-ionone UniProt
Dehydrovomifoliol KEGG COMPOUND
Manual Xrefs Databases
C02533 KEGG COMPOUND
LMPR0103050009 LIPID MAPS
View more database links
Registry Numbers Types Sources
15764-81-5 CAS Registry Number KEGG COMPOUND
2050827 Beilstein Registry Number Beilstein
Last Modified
13 November 2017