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CHEBI:213608 - Urdamycin N1

ChEBI IDCHEBI:213608
ChEBI NameUrdamycin N1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H46O14
Net Charge0
Average Mass726.772
Monoisotopic Mass726.28876
SMILESCOc1cc2c(c3c1C[C@@](C)(O)CC3=O)C(=O)c1ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c1C2=O
InChIInChI=1S/C38H46O14/c1-15-24(51-29-11-22(39)33(41)16(2)50-29)8-9-28(49-15)52-27-12-26(48-17(3)34(27)42)18-6-7-19-32(35(18)43)37(45)20-10-25(47-5)21-13-38(4,46)14-23(40)30(21)31(20)36(19)44/h6-7,10,15-17,22,24,26-29,33-34,39,41-43,46H,8-9,11-14H2,1-5H3/t15-,16+,17+,22+,24-,26+,27+,28-,29-,33+,34+,38+/m0/s1
InChIKeyQYJHREXXQDRGOH-XYKBRBRASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29843358)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Urdamycin N1 (CHEBI:213608) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R)-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]-3,8-dihydroxy-5-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
71044327ChemSpider