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CHEBI:80058 - Chivosazole B

ChEBI IDCHEBI:80058
ChEBI NameChivosazole B
Stars
DownloadsMolfile
FormulaC48H69NO12
Net Charge0
Average Mass852.075
Monoisotopic Mass851.48198
SMILESCO[C@H]1[C@H](OC2/C=C\C=C\c3coc(n3)C(C)C(O)CC(O)/C=C/C=C/C=C\C(C)C(C(C)C(O)CC(C)O)OC(=O)/C=C\C=C\C=C/C(C)=C/C2C)O[C@H](C)[C@@H](O)[C@@H]1OC
InChIInChI=1S/C48H69NO12/c1-30-20-14-10-13-17-25-42(54)61-44(34(5)39(52)27-33(4)50)31(2)21-15-11-12-16-23-38(51)28-40(53)35(6)47-49-37(29-58-47)22-18-19-24-41(32(3)26-30)60-48-46(57-9)45(56-8)43(55)36(7)59-48/h10-26,29,31-36,38-41,43-46,48,50-53,55H,27-28H2,1-9H3/b12-11+,13-10+,20-14-,21-15-,22-18+,23-16+,24-19-,25-17-,30-26+/t31?,32?,33?,34?,35?,36-,38?,39?,40?,41?,43-,44?,45+,46-,48+/m1/s1
InChIKeyFWDYAUGDLMQNBQ-XZXGPIRGSA-N
ChEBI Ontology
Outgoing Relation(s)
Chivosazole B (CHEBI:80058) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
C15729KEGG COMPOUND