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CHEBI:174305 - Ketopelenolide a

ChEBI IDCHEBI:174305
ChEBI NameKetopelenolide a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILES[H][C@@]12C[C@H](C)C(=O)C/C=C(/C)CC[C@@]1([H])[C@@H](C)C(=O)O2
InChIInChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-12,14H,4,6-8H2,1-3H3/b9-5-/t10-,11+,12-,14+/m0/s1
InChIKeyKLZWSNKEPLKAOS-KBQMSFDJSA-N
ChEBI Ontology
Outgoing Relation(s)
Ketopelenolide a (CHEBI:174305) is a germacranolide (CHEBI:73011)
IUPAC Name 
(3R,3aS,6Z,10S,11aR)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]uran-2,9-dione
Manual XrefsDatabases
4952643ChemSpider
Registry NumbersSources
CAS:17909-92-1ChemIDplus