EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224714 - Galiellalester

ChEBI IDCHEBI:224714
ChEBI NameGaliellalester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCOC(=O)C1=C[C@@H](C)C[C@H]2CC[C@@H](O)[C@@]12O
InChIInChI=1S/C12H18O4/c1-7-5-8-3-4-10(13)12(8,15)9(6-7)11(14)16-2/h6-8,10,13,15H,3-5H2,1-2H3/t7-,8+,10+,12-/m0/s1
InChIKeyORSSYGLEOAUGLC-PUJIEXKFSA-N
ChEBI Ontology
Outgoing Relation(s)
Galiellalester (CHEBI:224714) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
methyl (3R,3aS,6S,7aR)-3,3a-dihydroxy-6-methyl-1,2,3,6,7,7a-hexahydroindene-4-carboxylate
Manual XrefsDatabases
78442328ChemSpider