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CHEBI:175460 - 9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one

ChEBI IDCHEBI:175460
ChEBI Name9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESC=C1C(OC(=O)/C=C(\C)CC)CC(C(C)C)C2C1CC(=O)C2C(C)O
InChIInChI=1S/C21H32O4/c1-7-12(4)8-19(24)25-18-10-15(11(2)3)21-16(13(18)5)9-17(23)20(21)14(6)22/h8,11,14-16,18,20-22H,5,7,9-10H2,1-4,6H3/b12-8+
InChIKeyAIZCSTFUIXPHFD-XYOKQWHBSA-N
ChEBI Ontology
Outgoing Relation(s)
9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one (CHEBI:175460) 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] (E)-3-methylpent-2-enoate
Manual XrefsDatabases
35015057ChemSpider
HMDB0040954HMDB