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CHEBI:174990 - 9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate

ChEBI IDCHEBI:174990
ChEBI Name9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESC=C1C(OC(=O)/C(C)=C\C)CC(C(C)C)C2C1CC(=O)C2C(C)OC(C)=O
InChIInChI=1S/C22H32O5/c1-8-12(4)22(25)27-19-10-16(11(2)3)21-17(13(19)5)9-18(24)20(21)14(6)26-15(7)23/h8,11,14,16-17,19-21H,5,9-10H2,1-4,6-7H3/b12-8-
InChIKeyZYTJBCOGBFUTOP-WQLSENKSSA-N
ChEBI Ontology
Outgoing Relation(s)
9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate (CHEBI:174990) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
35015058ChemSpider
HMDB0040955HMDB