**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

4'-demethylrebeccamycin

Properties Image MNX_ID MNXM2613 reference chebi:595389 formula C26H19Cl2N3O7 global charge 0 mol weight 556.358 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 MNX internals InChI (mnx) InChI=1/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 (mnx) [c:1]12[c:2]3[c:5]([c:4]4[c:3]([c:6]1[C:13]1=[CH:21][CH:24]=[Cl:27][C:19]([CH3:23])=[C:15]1[CH2:11]2)[C:7](=[CH2:16])[CH2:9][C:8]4=[CH2:17])-[c:12]1[c:14]([c:18]([CH3:22])[cH:26][cH:25][cH:20]1)[CH:10]3[Cl:28]1[N:29]([OH:34])[N:31]([OH:35])[O@:33]([OH:36])[O@@:32]([O:37][OH:38])[NH:30]1

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:595389 chebi:595389 NNPBOGAWNUIKAO-RJZBGXQMSA-N	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 NNPBOGAWNUIKAO-RJZBGXQMSA-N	4'-O-Demethylrebeccamycin
seed.compound:cpd20948 seedM:cpd20948 NNPBOGAWNUIKAO-RJZBGXQMSA-N	4'-O-Demethylrebeccamycin 4'-O-demethylrebeccamycin
metacyc.compound:CPD-11756 metacycM:CPD-11756 NNPBOGAWNUIKAO-RJZBGXQMSA-N	4'-O-demethylrebeccamycin
chebi:611801 keggC:M_C19700 seedM:M_cpd20948	secondary/obsolete/fantasy identifier