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CHEBI:204845 - 9alpha-hydroxy-13-acetyltricho-2(12),10(11)-diene-3-one

ChEBI IDCHEBI:204845
ChEBI Name9alpha-hydroxy-13-acetyltricho-2(12),10(11)-diene-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O4
Net Charge0
Average Mass292.375
Monoisotopic Mass292.16746
SMILESCC(=O)OCC1=CC(=O)C[C@]1(C)[C@]1(C)C=C[C@@](C)(O)CC1
InChIInChI=1S/C17H24O4/c1-12(18)21-11-13-9-14(19)10-17(13,4)15(2)5-7-16(3,20)8-6-15/h5,7,9,20H,6,8,10-11H2,1-4H3/t15-,16-,17+/m1/s1
InChIKeyVCGVOHWRPQACBE-ZACQAIPSSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1016/s0040-4039(00)79127-1)
ChEBI Ontology
Outgoing Relation(s)
9alpha-hydroxy-13-acetyltricho-2(12),10(11)-diene-3-one (CHEBI:204845) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[(5R)-5-[(1S,4S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-5-methyl-3-oxocyclopenten-1-yl]methyl acetate
Manual XrefsDatabases
78436164ChemSpider