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4'-demethylrebeccamycin

Properties

Image

Occurences in reactions

MNX_ID

MNXM2613

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₆H₁₉Cl₂N₃O₇

charge

mass

555.06001

reference

chebi:595389

InChIKey

NNPBOGAWNUIKAO-RJZBGXQMSA-N

InChI

InChI=1S/C26H19Cl2N3O7/c27-10-5-1-3-8-13-15-16(25(37)30-24(15)36)14-9-4-2-6-11(28)19(9)31(20(14)18(13)29-17(8)10)26-23(35)22(34)21(33)12(7-32)38-26/h1-6,12,21-23,26,29,32-35H,7H2,(H,30,36,37)/t12-,21-,22+,23-,26-/m1/s1

SMILES

O=C1NC(=O)c2c1c1c3cccc(Cl)c3[nH]c1c1c2c2cccc(Cl)c2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:595389 chebi:595389	4'-demethylrebeccamycin 1,11-dichloro-12-(beta-D-glucopyranosyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione 4'-O-Demethylrebeccamycin
kegg.compound:C19700 keggC:C19700	4'-O-Demethylrebeccamycin
seed.compound:cpd20948 seedM:cpd20948	4'-O-Demethylrebeccamycin 4'-O-demethylrebeccamycin
metacyc.compound:CPD-11756 metacycM:CPD-11756	4'-O-demethylrebeccamycin
chebi:611801 keggC:M_C19700 seedM:M_cpd20948	secondary/obsolete/fantasy identifier