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CHEBI:207190 - Berkeleylactone H

ChEBI IDCHEBI:207190
ChEBI NameBerkeleylactone H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O8
Net Charge0
Average Mass400.468
Monoisotopic Mass400.20972
SMILESO=C(O)CCC(=O)O[C@H]1CCCCCCCCC[C@@H](CO)OC(=O)C=C[C@H]1O
InChIInChI=1S/C20H32O8/c21-14-15-8-6-4-2-1-3-5-7-9-17(16(22)10-12-19(25)27-15)28-20(26)13-11-18(23)24/h10,12,15-17,21-22H,1-9,11,13-14H2,(H,23,24)/t15-,16+,17-/m0/s1
InChIKeyVWUDIRRHACQVQE-BBWFWOEESA-N
ChEBI Ontology
Outgoing Relation(s)
Berkeleylactone H (CHEBI:207190) is a macrolide (CHEBI:25106)
IUPAC Name 
4-[[(5R,6S,16S)-5-hydroxy-16-(hydroxymethyl)-2-oxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxobutanoic acid