CHEBI:49164 - (6S,9R)-vomifoliol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,9R)-vomifoliol
ChEBI ID CHEBI:49164
ChEBI ASCII Name (6S,9R)-vomifoliol
Definition A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49157, CHEBI:10020
Supplier Information
Download Molfile XML SDF
Formula C13H20O3
Net Charge 0
Average Mass 224.29610
Monoisotopic Mass 224.14124
InChI InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
InChIKey KPQMCAKZRXOZLB-KOIHBYQTSA-N
SMILES C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
Metabolite of Species Details
Perrottetia multiflora (IPNI:282530-2) Found in aerial part (BTO:0001658). See: DOI
Brucea javanica (NCBI:txid210348) Found in seed (BTO:0001226). See: DOI
Solanum lyratum (NCBI:txid230192) Found in whole plant (BTO:0001461). See: PubMed
Typha latifolia (NCBI:txid4733) See: DOI
Roles Classification
Biological Role(s): phytotoxin
Any toxin produced by a plant.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via (6S)-vomifoliol )
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via vomifoliol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (6S,9R)-vomifoliol (CHEBI:49164) has role metabolite (CHEBI:25212)
(6S,9R)-vomifoliol (CHEBI:49164) has role phytotoxin (CHEBI:38231)
(6S,9R)-vomifoliol (CHEBI:49164) is a (6S)-vomifoliol (CHEBI:49156)
(6S,9R)-vomifoliol (CHEBI:49164) is enantiomer of (6R,9S)-vomifoliol (CHEBI:49160)
Incoming (6R,9S)-vomifoliol (CHEBI:49160) is enantiomer of (6S,9R)-vomifoliol (CHEBI:49164)
IUPAC Name
(4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
Synonyms Sources
(4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one IUBMB
(6S,9R)-6-hydroxy-3-oxo-α-ionol ChEBI
(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol KEGG COMPOUND
(6S,9R)-vomifoliol UniProt
Blumenol A NIST Chemistry WebBook
Vomifoliol KEGG COMPOUND
Manual Xrefs Databases
--6-HYDROXY-3-OXO-ALPHA-IONOL MetaCyc
C00029834 KNApSAcK
C01760 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1877674 Beilstein Registry Number Beilstein
1877674 Reaxys Registry Number Reaxys
23526-45-6 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
19336938 PubMed citation Europe PMC
22364828 PubMed citation Europe PMC
Last Modified
28 July 2014