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CHEBI:165223 - Adriamycinone

ChEBI IDCHEBI:165223
ChEBI NameAdriamycinone
Stars
Last Modified9 June 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O9
Net Charge0
Average Mass414.366
Monoisotopic Mass414.09508
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O
InChIInChI=1S/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21-/m0/s1
InChIKeyIBZGBXXTIGCACK-CWKPULSASA-N
ChEBI Ontology
Outgoing Relation(s)
Adriamycinone (CHEBI:165223) is a quinone (CHEBI:36141)
Adriamycinone (CHEBI:165223) is a tetracenes (CHEBI:51270)
Incoming Relation(s)
doxorubicin (CHEBI:28748) has functional parent Adriamycinone (CHEBI:165223)
IUPAC Name 
(7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
65332ChemSpider
Registry NumbersSources
CAS:24385-10-2ChemIDplus