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CHEBI:172140 - Acetylbalchanolide

ChEBI IDCHEBI:172140
ChEBI NameAcetylbalchanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O4
Net Charge0
Average Mass292.375
Monoisotopic Mass292.16746
SMILES[H][C@@]12[C@@H](OC(C)=O)C/C(C)=C\CC/C(C)=C\[C@@]1([H])OC(=O)[C@H]2C
InChIInChI=1S/C17H24O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,12,14-16H,5,7-8H2,1-4H3/b10-6-,11-9-/t12-,14-,15+,16+/m0/s1
InChIKeyMNQOAYZWZSDAKZ-PBKMLNJOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Acetylbalchanolide (CHEBI:172140) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(3S,3aR,4S,6Z,10Z,11aR)-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]uran-4-yl] acetate