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CHEBI:226214 - Duocarmycin D

ChEBI IDCHEBI:226214
ChEBI NameDuocarmycin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H25N3O9
Net Charge0
Average Mass523.498
Monoisotopic Mass523.15908
SMILESCOC(=O)[C@]1(C)Nc2c(O)cc3c(c(CO)cn3C(=O)c3cc4cc(OC)c(OC)c(OC)c4n3)c2C1=O
InChIInChI=1S/C26H25N3O9/c1-26(25(34)38-5)23(32)18-17-12(10-30)9-29(14(17)8-15(31)20(18)28-26)24(33)13-6-11-7-16(35-2)21(36-3)22(37-4)19(11)27-13/h6-9,27-28,30-31H,10H2,1-5H3/t26-/m1/s1
InChIKeyOXYZQOYSQSPFMI-AREMUKBSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (7774022)
ChEBI Ontology
Outgoing Relation(s)
Duocarmycin D (CHEBI:226214) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl (2R)-4-hydroxy-8-(hydroxymethyl)-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3H-pyrrolo[3,2-e]indole-2-carboxylate
Manual XrefsDatabases
57568239ChemSpider