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CHEBI:181561 - (2R,5S,9R,12R)-13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione

ChEBI IDCHEBI:181561
ChEBI Name(2R,5S,9R,12R)-13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12COC(=O)[C@]3([H])CC[C@@]4([H])C(C)(C)CC13[C@]4([H])CC2=O
InChIInChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11+,15?/m1/s1
InChIKeyBBIDMUQZCCGABN-LLIBVQEBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,5S,9R,12R)-13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione (CHEBI:181561) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R,5S,9R,12R)-13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione
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