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CHEBI:168043 - (3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one

ChEBI IDCHEBI:168043
ChEBI Name(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O2
Net Charge0
Average Mass208.301
Monoisotopic Mass208.14633
SMILESC/C=C/C(=O)C1=C(C)CC(O)CC1(C)C
InChIInChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5+
InChIKeyUPRXEFYRIACHQZ-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one (CHEBI:168043) is a enone (CHEBI:51689)
IUPAC Name 
(E)-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
Manual XrefsDatabases
4926545ChemSpider
HMDB0041636HMDB