EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228104 - 1beta-acetoxy-10alpha,13-dihydroxyeremophil-7(11)-en-12,8beta-olide

ChEBI IDCHEBI:228104
ChEBI Name1beta-acetoxy-10alpha,13-dihydroxyeremophil-7(11)-en-12,8beta-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESCC(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(CO)C(=O)O[C@@H]3C[C@]12O
InChIInChI=1S/C17H24O6/c1-9-4-5-14(22-10(2)19)17(21)7-13-11(6-16(9,17)3)12(8-18)15(20)23-13/h9,13-14,18,21H,4-8H2,1-3H3/t9-,13+,14+,16+,17-/m0/s1
InChIKeyOYAKZRWZYFMBKX-SDNATLTCSA-N
ChEBI Ontology
Outgoing Relation(s)
1beta-acetoxy-10alpha,13-dihydroxyeremophil-7(11)-en-12,8beta-olide (CHEBI:228104) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(4aR,5S,8R,8aR,9aR)-8a-hydroxy-3-(hydroxymethyl)-4a,5-dimethyl-2-oxo-5,6,7,8,9,9a-hexahydro-4H-benzo[][1]benzouran-8-yl] acetate
Manual XrefsDatabases
80564735ChemSpider