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CHEBI:135863 - zorubicin

ChEBI IDCHEBI:135863
ChEBI Namezorubicin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC34H35N3O10
Net Charge0
Average Mass645.665
Monoisotopic Mass645.23224
SMILES[H][C@]1(O[C@H]2C[C@](O)(C(C)=NNC(=O)c3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)C[C@H](N)[C@H](O)[C@H](C)O1
InChIInChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/t15-,20-,22-,23-,28+,34-/m0/s1
InChIKeyFBTUMDXHSRTGRV-BJISBDEGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
zorubicin (CHEBI:135863) is a anthracycline (CHEBI:48120)
Synonyms  Source
rubidazoneDrugCentral
daunomycin benzoylhydrazoneDrugCentral
rubidazonDrugCentral
Manual XrefsDatabases
2874DrugCentral
Registry NumbersSources
CAS:54083-22-6DrugCentral