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CHEBI:176061 - 8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide

ChEBI IDCHEBI:176061
ChEBI Name8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O8
Net Charge0
Average Mass424.490
Monoisotopic Mass424.20972
SMILESC=C1C(=O)OC2CC(CO)C(=O)CC(OC)C(C)(OC)CC(OC(=O)/C(C)=C/C)C12
InChIInChI=1S/C22H32O8/c1-7-12(2)20(25)30-17-10-22(4,28-6)18(27-5)9-15(24)14(11-23)8-16-19(17)13(3)21(26)29-16/h7,14,16-19,23H,3,8-11H2,1-2,4-6H3/b12-7+
InChIKeyLOQBOYSPYWSYGO-KPKJPENVSA-N
ChEBI Ontology
Outgoing Relation(s)
8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide (CHEBI:176061) is a germacranolide (CHEBI:73011)
IUPAC Name 
[10-(hydroxymethyl)-6,7-dimethoxy-6-methyl-3-methylidene-2,9-dioxo-3a,4,5,7,8,10,11,11a-octahydrocyclodeca[b]uran-4-yl] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0039013HMDB
35014715ChemSpider