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CHEBI:175855 - (1E,4Z,6a,8b,10a)-8-(2-Methylbutanoyloxy)-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide

ChEBI IDCHEBI:175855
ChEBI Name(1E,4Z,6a,8b,10a)-8-(2-Methylbutanoyloxy)-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O7
Net Charge0
Average Mass378.421
Monoisotopic Mass378.16785
SMILESC=C1C(=O)OC2/C=C(/CO)C(=O)/C=C\C(C)(O)CC(OC(=O)C(C)CC)C12
InChIInChI=1S/C20H26O7/c1-5-11(2)18(23)27-16-9-20(4,25)7-6-14(22)13(10-21)8-15-17(16)12(3)19(24)26-15/h6-8,11,15-17,21,25H,3,5,9-10H2,1-2,4H3/b7-6-,13-8-
InChIKeyCUICTWWBLRZLES-DGOUITMESA-N
ChEBI Ontology
Outgoing Relation(s)
(1E,4Z,6a,8b,10a)-8-(2-Methylbutanoyloxy)-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide (CHEBI:175855) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(7Z,10Z)-6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]uran-4-yl] 2-methylbutanoate
Manual XrefsDatabases
HMDB0041002HMDB
35015074ChemSpider