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CHEBI:228337 - 1(10)-Aristolen-2-one

ChEBI IDCHEBI:228337
ChEBI Name1(10)-Aristolen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILES[H][C@@]12C(C)(C)[C@]1([H])CCC1=CC(=O)C[C@@H](C)[C@@]12C
InChIInChI=1S/C15H22O/c1-9-7-11(16)8-10-5-6-12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1
InChIKeyOHIBAYUTHVYXER-JWFUOXDNSA-N
ChEBI Ontology
Outgoing Relation(s)
1(10)-Aristolen-2-one (CHEBI:228337) has parent hydride aristolane (CHEBI:35784)
1(10)-Aristolen-2-one (CHEBI:228337) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa[a]naphthalen-5-one
Manual XrefsDatabases
29416338ChemSpider