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CHEBI:750818 - detorubicin

Default Structure
ChEBI IDCHEBI:750818
ChEBI Namedetorubicin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC33H39NO14
Net Charge0
Average Mass673.668
Monoisotopic Mass673.23705
SMILESCCOC(OCC)C(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
InChIInChI=1S/C33H39NO14/c1-5-44-32(45-6-2)31(41)46-13-20(35)33(42)11-16-23(19(12-33)48-21-10-17(34)26(36)14(3)47-21)30(40)25-24(28(16)38)27(37)15-8-7-9-18(43-4)22(15)29(25)39/h7-9,14,17,19,21,26,32,36,38,40,42H,5-6,10-13,34H2,1-4H3/t14-,17-,19-,21-,26+,33-/m0/s1
InChIKeyXZSRRNFBEIOBDA-CFNBKWCHSA-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)
detorubicin (CHEBI:750818) is a anthracycline (CHEBI:48120)
INNs  Source
detorubicinWHO MedNet
detorubicinaWHO MedNet
detorubicineWHO MedNet
Citations