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CHEBI:174675 - Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate

ChEBI IDCHEBI:174675
ChEBI NameMethyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESCOC(=O)C(C)C1=CC2(C)C(CCC(O)C2C)CC1=O
InChIInChI=1S/C16H24O4/c1-9(15(19)20-4)12-8-16(3)10(2)13(17)6-5-11(16)7-14(12)18/h8-11,13,17H,5-7H2,1-4H3
InChIKeyIVWXOXMSDQFMDV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate (CHEBI:174675) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl 2-(7-hydroxy-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl)propanoate
Manual XrefsDatabases
HMDB0041229HMDB
35015134ChemSpider