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CHEBI:207212 - Berkeleylactone D

ChEBI IDCHEBI:207212
ChEBI NameBerkeleylactone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O8
Net Charge0
Average Mass398.452
Monoisotopic Mass398.19407
SMILESC[C@@H]1CC(O)CCCCCCC[C@H](OC(=O)CCC(=O)O)C(=O)C=CC(=O)O1
InChIInChI=1S/C20H30O8/c1-14-13-15(21)7-5-3-2-4-6-8-17(16(22)9-11-19(25)27-14)28-20(26)12-10-18(23)24/h9,11,14-15,17,21H,2-8,10,12-13H2,1H3,(H,23,24)/t14-,15?,17+/m1/s1
InChIKeyMCGAXEIZZWCGNE-BZEOVNSFSA-N
ChEBI Ontology
Outgoing Relation(s)
Berkeleylactone D (CHEBI:207212) is a macrolide (CHEBI:25106)
IUPAC Name 
4-[[(6S,16R)-14-hydroxy-16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxobutanoic acid