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CHEBI:222837 - BK223 B

ChEBI IDCHEBI:222837
ChEBI NameBK223 B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H48O20
Net Charge0
Average Mass872.826
Monoisotopic Mass872.27389
SMILESCC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)O[C@H](C)CC(=O)OC[C@@H](OC(C)=O)CC(=O)O[C@H](C)Cc1cc(OC(C)=O)cc(OC(C)=O)c1C(=O)O[C@H](C)CC(=O)O[C@H](C)C2
InChIInChI=1S/C42H48O20/c1-20-10-29-14-31(58-24(5)43)16-34(61-27(8)46)39(29)41(51)56-22(3)12-36(48)53-19-33(60-26(7)45)18-38(50)55-21(2)11-30-15-32(59-25(6)44)17-35(62-28(9)47)40(30)42(52)57-23(4)13-37(49)54-20/h14-17,20-23,33H,10-13,18-19H2,1-9H3/t20-,21-,22-,23-,33+/m1/s1
InChIKeyFFNMLCFKTIYAOS-JDFZNLSNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (8360106)
ChEBI Ontology
Outgoing Relation(s)
BK223 B (CHEBI:222837) is a macrolide (CHEBI:25106)
IUPAC Name 
[(4R,8R,18R,23S,27R)-12,14,31,33-tetraacetyloxy-4,8,18,27-tetramethyl-2,6,16,20,25-pentaoxo-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaen-23-yl] acetate
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78436200ChemSpider