EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210670 - 3-O-Ethyllactarolide B

ChEBI IDCHEBI:210670
ChEBI Name3-O-Ethyllactarolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCCO[C@@]1(C)CC2=C(C(=O)OC2O)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]21
InChIInChI=1S/C17H26O5/c1-5-21-17(4)7-10-12(15(20)22-14(10)19)13(18)9-6-16(2,3)8-11(9)17/h9,11,13-14,18-19H,5-8H2,1-4H3/t9-,11+,13+,14?,17+/m1/s1
InChIKeyIDDBBUFMGHTVDX-NGDHPXIKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-Ethyllactarolide B (CHEBI:210670) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5S,5aS,8aR,9S)-5-ethoxy-3,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]uran-1-one
Manual XrefsDatabases
78441911ChemSpider