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CHEBI:94972 - (7S,9S)-9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

ChEBI IDCHEBI:94972
ChEBI Name(7S,9S)-9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Stars
DownloadsMolfile
FormulaC26H27NO9
Net Charge0
Average Mass497.500
Monoisotopic Mass497.16858
SMILESCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](OC2CC(N)C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10?,15?,16-,17?,21?,26-/m0/s1
InChIKeyXDXDZDZNSLXDNA-YMYDAGKFSA-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)
(7S,9S)-9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione (CHEBI:94972) is a anthracycline (CHEBI:48120)
Manual XrefsDatabases
LSM-6192LINCS