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CHEBI:225091 - 4-O-demethyl-11-deoxydaunorubicin

ChEBI IDCHEBI:225091
ChEBI Name4-O-demethyl-11-deoxydaunorubicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27NO9
Net Charge0
Average Mass497.500
Monoisotopic Mass497.16858
SMILESCC(=O)[C@]1(O)Cc2cc3c(c(O)c2[C@H](O[C@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C26H27NO9/c1-10-22(30)15(27)7-18(35-10)36-17-9-26(34,11(2)28)8-12-6-14-21(24(32)19(12)17)25(33)20-13(23(14)31)4-3-5-16(20)29/h3-6,10,15,17-18,22,29-30,32,34H,7-9,27H2,1-2H3/t10-,15-,17-,18+,22+,26+/m1/s1
InChIKeyIVTIJSPMQMJSEQ-YZLIVNITSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6951826)
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)
4-O-demethyl-11-deoxydaunorubicin (CHEBI:225091) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7R,9S)-9-acetyl-7-[(2R,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443288ChemSpider