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CHEBI:213590 - Urdamycin N8

ChEBI IDCHEBI:213590
ChEBI NameUrdamycin N8
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H48O14
Net Charge0
Average Mass740.799
Monoisotopic Mass740.30441
SMILESCO[C@@H]1C2=C(C(=O)c3ccc([C@H]4C[C@@H](O[C@H]5CC[C@H](O[C@H]6C[C@@H](O)[C@H](O)[C@@H](C)O6)[C@H](C)O5)[C@H](O)[C@@H](C)O4)c(O)c3C2=O)c2c(O)cc(C)cc2[C@H]1OC
InChIInChI=1S/C39H48O14/c1-15-11-21-29(22(40)12-15)31-32(39(48-6)38(21)47-5)37(46)30-20(36(31)45)8-7-19(35(30)44)25-14-26(34(43)18(4)49-25)53-27-10-9-24(16(2)50-27)52-28-13-23(41)33(42)17(3)51-28/h7-8,11-12,16-18,23-28,33-34,38-44H,9-10,13-14H2,1-6H3/t16-,17+,18+,23+,24-,25+,26+,27-,28-,33+,34+,38+,39+/m0/s1
InChIKeyNLGPIAQPPWHQDB-GSXYIDNASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29843358)
ChEBI Ontology
Outgoing Relation(s)
Urdamycin N8 (CHEBI:213590) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(5R,6R)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-1,8-dihydroxy-5,6-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
71044333ChemSpider