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CHEBI:201372 - 11-deoxydaunorubicin

ChEBI IDCHEBI:201372
ChEBI Name11-deoxydaunorubicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29NO9
Net Charge0
Average Mass511.527
Monoisotopic Mass511.18423
SMILESCOc1cccc2c1C(=O)c1c(cc3c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)C[C@](O)(C(C)=O)C3)C2=O
InChIInChI=1S/C27H29NO9/c1-11-23(30)16(28)8-19(36-11)37-18-10-27(34,12(2)29)9-13-7-15-22(25(32)20(13)18)26(33)21-14(24(15)31)5-4-6-17(21)35-3/h4-7,11,16,18-19,23,30,32,34H,8-10,28H2,1-3H3/t11-,16-,18-,19-,23+,27-/m0/s1
InChIKeyZCLQMQOBRBUQOR-GRRPPOEGSA-N
Species of MetaboliteComponentSourceComments
Micromonospora peucetia (ncbitaxon:47871) - DOI (10.1021/ja00524a061)
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)
11-deoxydaunorubicin (CHEBI:201372) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
19951571ChemSpider
DM3PDBeChem