EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207209 - Berkeleylactone C

ChEBI IDCHEBI:207209
ChEBI NameBerkeleylactone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O8
Net Charge0
Average Mass398.452
Monoisotopic Mass398.19407
SMILESC[C@H]1OC(=O)C=CC(=O)[C@@H](OC(=O)CCC(=O)O)CCCCCCCC[C@@H]1O
InChIInChI=1S/C20H30O8/c1-14-15(21)8-6-4-2-3-5-7-9-17(16(22)10-12-19(25)27-14)28-20(26)13-11-18(23)24/h10,12,14-15,17,21H,2-9,11,13H2,1H3,(H,23,24)/t14-,15+,17+/m1/s1
InChIKeyOMAWGNJHHJSGDZ-VYDXJSESSA-N
ChEBI Ontology
Outgoing Relation(s)
Berkeleylactone C (CHEBI:207209) is a macrolide (CHEBI:25106)
IUPAC Name 
4-[[(6S,15S,16R)-15-hydroxy-16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxobutanoic acid