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CHEBI:203613 - 5-hydroxy-4-(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)cyclohex-4-en-1-one

ChEBI IDCHEBI:203613
ChEBI Name5-hydroxy-4-(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)cyclohex-4-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCC(C)=CC[C@H]1CC(CO)=C(O)CC1=O
InChIInChI=1S/C12H18O3/c1-8(2)3-4-9-5-10(7-13)12(15)6-11(9)14/h3,9,13,15H,4-7H2,1-2H3/t9-/m0/s1
InChIKeyAOCYGIDOALPLJA-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (25295617)
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-4-(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)cyclohex-4-en-1-one (CHEBI:203613) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
3-hydroxy-4-(hydroxymethyl)-6-(3-methylbut-2-enyl)cyclohex-3-en-1-one
Manual XrefsDatabases
78435622ChemSpider