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CHEBI:27068 - trans-abscisic alcohol

Default Structure
ChEBI IDCHEBI:27068
ChEBI Nametrans-abscisic alcohol
Stars
ASCII Nametrans-abscisic alcohol
Last Modified13 February 2026
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/CO
InChIInChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6+/t15-/m1/s1
InChIKeyGRJFTUSJGMRSSJ-SQGBXOFWSA-N
Species of MetaboliteComponentSourceComments
Averrhoa carambola (ncbitaxon:28974) fruit (BTO:0000486) DOI (10.1016/S0031-9422(00)89824-6)
Chenopodium album (ncbitaxon:3559) - PubMed (15387648)
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)
trans-abscisic alcohol (CHEBI:27068) has role plant metabolite (CHEBI:76924)
trans-abscisic alcohol (CHEBI:27068) is a abscisic alcohol (CHEBI:22145)
IUPAC Name 
(4S)-4-hydroxy-4-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dien-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
Synonyms  Source
(4S)-4-Hydroxy-4-[(1E,3E)-5-hydroxy-3-methyl-1,3-pentadien-1-yl]-3,5,5-trimethyl-2-cyclohexen-1-oneCAS
trans-ABA-alcoholChEBI
trans-abscisic acid alcoholChEBI
Manual XrefsDatabases
CPD4FS-8MetaCyc
Registry NumbersSources
CAS:113472-20-1CAS
Citations