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CHEBI:756154 - coumermycin sodium

Default Structure
ChEBI IDCHEBI:756154
ChEBI Namecoumermycin sodium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C55H58N5O20
Net Charge0
Average Mass1132.074
Monoisotopic Mass1131.35728
SMILESCO[C@@H]1[C@@H](OC(=O)c2ccc(C)n2)[C@@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4cnc(C(=O)Nc5c(O)c6ccc(O[C@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)n8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C.[Na+]
InChIInChI=1S/C55H59N5O20.Na/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30;/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66);/q;+1/p-1/t38-,39-,42+,43+,44-,45-,52+,53+;/m1./s1
InChIKeyWTUXHNVTMYDUAM-WYHNDRAOSA-M
ChEBI Ontology
Outgoing Relation(s)
coumermycin sodium (CHEBI:756154) is a coumarins (CHEBI:23403)
coumermycin sodium (CHEBI:756154) is a glycoside (CHEBI:24400)
Synonyms  Source
Coumermycin sodiumChEMBL
RO 5-4645/010ChEMBL
RO-5-4645/010ChEMBL
Sodium coumermycin a1ChEMBL