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Concept information

Preferred term

duocarmycin c1  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C26H26ClN3O8

inchi

  • InChI=1S/C26H26ClN3O8/c1-26(25(34)38-5)23(32)18-13-8-12(27)10-30(15(13)9-16(31)20(18)29-26)24(33)14-6-11-7-17(35-2)21(36-3)22(37-4)19(11)28-14/h6-7,9,12,28-29,31H,8,10H2,1-5H3

inchikey

  • ILRQRCTVPANBBE-UHFFFAOYSA-N

mass

  • 543.960

monoisotopicmass

  • 543.14084

smiles

  • ClC1CN(C=2C=C(O)C3=C(C2C1)C(=O)C(C(=O)OC)(C)N3)C(=O)C=4NC=5C(OC)=C(OC)C(=CC5C4)OC

subset

  • 2_STAR

synonym EXACT

  • methyl 8-chloro-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,7,8,9-tetrahydropyrrolo[3,2-]quinoline-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223998

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