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CHEBI:749629 - semduramicin

Default Structure
ChEBI IDCHEBI:749629
ChEBI Namesemduramicin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC45H76O16
Net Charge0
Average Mass873.087
Monoisotopic Mass872.51334
SMILES[H][C@@]1([C@H](C)[C@@]2([H])O[C@@]3(CC[C@@](C)([C@@]4([H])CC[C@@](C)([C@]5([H])O[C@@]([H])([C@@]6([H])O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5O[C@H]5CC[C@H](OC)[C@@H](C)O5)O4)O3)C[C@H](O)[C@H]2C)O[C@](O)(CC(=O)O)[C@@H](C)[C@H](O)[C@H]1OC
InChIInChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1
InChIKeyWINSLRIENGBHSH-ASZYJFLUSA-N
ChEBI Ontology
Outgoing Relation(s)
semduramicin (CHEBI:749629) is a ketal (CHEBI:59777)
INNs  Source
semduramicinaWHO MedNet
semduramicineWHO MedNet
Synonyms  Source
SemduramicinChEMBL
UK-61,689ChEMBL
UK-61689ChEMBL