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CHEBI:207197 - Berkeleylactone A

ChEBI IDCHEBI:207197
ChEBI NameBerkeleylactone A
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FormulaC19H32O7S
Net Charge0
Average Mass404.525
Monoisotopic Mass404.18687
SMILESC[C@@H]1CCCCCCCCC[C@H](O)C(=O)C[C@@H](SC[C@@H](O)C(=O)O)C(=O)O1
InChIInChI=1S/C19H32O7S/c1-13-9-7-5-3-2-4-6-8-10-14(20)15(21)11-17(19(25)26-13)27-12-16(22)18(23)24/h13-14,16-17,20,22H,2-12H2,1H3,(H,23,24)/t13-,14+,16-,17-/m1/s1
InChIKeyKQOUUXPIBXWEMV-YALNPMBYSA-N
ChEBI Ontology
Outgoing Relation(s)
Berkeleylactone A (CHEBI:207197) is a macrolide (CHEBI:25106)
IUPAC Name 
(2S)-2-hydroxy-3-[[(3R,6S,16R)-6-hydroxy-16-methyl-2,5-dioxo-oxacyclohexadec-3-yl]sulanyl]propanoic acid
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