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CHEBI:182816 - (3S,3As,6Z,10E,11aS)-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carboxylic acid

ChEBI IDCHEBI:182816
ChEBI Name(3S,3As,6Z,10E,11aS)-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILES[H][C@@]12/C=C(\C)CC/C=C(\C(=O)O)CC[C@@]1([H])[C@H](C)C(=O)O2
InChIInChI=1S/C15H20O4/c1-9-4-3-5-11(14(16)17)6-7-12-10(2)15(18)19-13(12)8-9/h5,8,10,12-13H,3-4,6-7H2,1-2H3,(H,16,17)/b9-8+,11-5-/t10-,12-,13+/m0/s1
InChIKeyJQZMBVCHIJERNH-STVAXTPNSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,3As,6Z,10E,11aS)-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carboxylic acid (CHEBI:182816) is a germacranolide (CHEBI:73011)
IUPAC Name 
(3S,3aS,6Z,10E,11aS)-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]uran-6-carboxylic acid
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