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CHEBI:175295 - 9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one

ChEBI IDCHEBI:175295
ChEBI Name9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESC=C1C(OC(=O)CC(C)C)CC(C(C)C)C2C1CC(=O)C2C(C)O
InChIInChI=1S/C20H32O4/c1-10(2)7-18(23)24-17-9-14(11(3)4)20-15(12(17)5)8-16(22)19(20)13(6)21/h10-11,13-15,17,19-21H,5,7-9H2,1-4,6H3
InChIKeyRJNJFKDVPIFVPQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one (CHEBI:175295) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[1-(1-hydroxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] 3-methylbutanoate
Manual XrefsDatabases
HMDB0039171HMDB
35014759ChemSpider