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CHEBI:201348 - Duocarmycin A

ChEBI IDCHEBI:201348
ChEBI NameDuocarmycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H25N3O8
Net Charge0
Average Mass507.499
Monoisotopic Mass507.16416
SMILESCOC(=O)C1(C)NC2=C(C1=O)C13CC1CN(C(=O)c1cc4cc(OC)c(OC)c(OC)c4n1)C3=CC2=O
InChIInChI=1S/C26H25N3O8/c1-25(24(33)37-5)22(31)17-19(28-25)14(30)8-16-26(17)9-12(26)10-29(16)23(32)13-6-11-7-15(34-2)20(35-3)21(36-4)18(11)27-13/h6-8,12,27-28H,9-10H2,1-5H3
InChIKeyAZVARJHZBXHUSO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3209484)
ChEBI Ontology
Outgoing Relation(s)
Duocarmycin A (CHEBI:201348) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl 4-methyl-3,7-dioxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),8-diene-4-carboxylate
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97054ChemSpider