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CHEBI:207203 - Berkeleylactone B

ChEBI IDCHEBI:207203
ChEBI NameBerkeleylactone B
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SubmitterMetaboLights
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FormulaC23H36O10S
Net Charge0
Average Mass504.598
Monoisotopic Mass504.20292
SMILESC[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(=O)O)C(=O)C[C@@H](SC[C@@H](O)C(=O)O)C(=O)O1
InChIInChI=1S/C23H36O10S/c1-15-9-7-5-3-2-4-6-8-10-18(33-21(28)12-11-20(26)27)16(24)13-19(23(31)32-15)34-14-17(25)22(29)30/h15,17-19,25H,2-14H2,1H3,(H,26,27)(H,29,30)/t15-,17-,18+,19-/m1/s1
InChIKeyYSXYCGBWEPKTNJ-OQIJWPOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Berkeleylactone B (CHEBI:207203) is a macrolide (CHEBI:25106)
IUPAC Name 
4-[[(3R,6S,16R)-3-[(2S)-2-carboxy-2-hydroxyethyl]sulanyl-16-methyl-2,5-dioxo-oxacyclohexadec-6-yl]oxy]-4-oxobutanoic acid
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