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CHEBI:222482 - 11-deoxy-13-deoxodaunorubicin

ChEBI IDCHEBI:222482
ChEBI Name11-deoxy-13-deoxodaunorubicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO8
Net Charge0
Average Mass497.544
Monoisotopic Mass497.20497
SMILESCC[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(OC)cccc1C3=O
InChIInChI=1S/C27H31NO8/c1-4-27(33)10-13-8-15-22(26(32)21-14(24(15)30)6-5-7-17(21)34-3)25(31)20(13)18(11-27)36-19-9-16(28)23(29)12(2)35-19/h5-8,12,16,18-19,23,29,31,33H,4,9-11,28H2,1-3H3/t12-,16-,18-,19-,23+,27-/m0/s1
InChIKeyIYSDLBHEPBYCFI-PAFKHDOYSA-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-deoxy-13-deoxodaunorubicin (CHEBI:222482) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-6,9-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione