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CHEBI:181988 - methyl 2-(1,8-dihydroxy-4a,8-dimethyl-5-oxo-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl)propanoate

ChEBI IDCHEBI:181988
ChEBI Namemethyl 2-(1,8-dihydroxy-4a,8-dimethyl-5-oxo-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl)propanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCOC(=O)C(C)C1CCC2(C)C(=O)C=CC(C)(O)C2C1O
InChIInChI=1S/C16H24O5/c1-9(14(19)21-4)10-5-7-15(2)11(17)6-8-16(3,20)13(15)12(10)18/h6,8-10,12-13,18,20H,5,7H2,1-4H3
InChIKeyQTWFZVHPPOTAGN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 2-(1,8-dihydroxy-4a,8-dimethyl-5-oxo-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl)propanoate (CHEBI:181988) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl 2-(1,8-dihydroxy-4a,8-dimethyl-5-oxo-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl)propanoate
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22370271ChemSpider