EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196385 - Deacetyleupaserrin

ChEBI IDCHEBI:196385
ChEBI NameDeacetyleupaserrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILES[H][C@@]12/C=C(/C)C[C@H](O)/C=C(/C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C20H26O6/c1-5-14(10-21)20(24)26-17-9-12(3)7-15(22)6-11(2)8-16-18(17)13(4)19(23)25-16/h5,7-8,15-18,21-22H,4,6,9-10H2,1-3H3/b11-8-,12-7-,14-5+/t15-,16+,17+,18-/m0/s1
InChIKeyJZJVLLYTTWUPBF-NQIXEDOISA-N
ChEBI Ontology
Outgoing Relation(s)
Deacetyleupaserrin (CHEBI:196385) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
Manual XrefsDatabases
4944692ChemSpider