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

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ChEBI Name (2R,5S,9R,12R)-13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione
ChEBI ID CHEBI:181561
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H20O3
Net Charge 0
Average Mass 248.322
Monoisotopic Mass 248.14124
InChI InChI=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
InChIKey BBIDMUQZCCGABN-LLIBVQEBSA-N
SMILES O1C[C@@]2(C34[C@@]([C@](C(C3)(C)C)(CC[C@]4(C1=O)[H])[H])(CC2=O)[H])[H]
ChEBI Ontology
Outgoing (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
Manual Xref Database
29814907 ChemSpider
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