4'-O-demethylrebeccamycin

4'-<i>O</i>-demethylrebeccamycin




Chemical Formula:
C26H19N3O7CL2
Molecular Weight:
556.358 Daltons
Monoisotopic Mass:
555.0600054002 Daltons
SMILES:
C1(C=C(C5(=C(C=1)C4(C2(C(NC(C=2C6(C3(C=CC=C(C=3N(C(C=4N5)=6)C7(C(C(C(C(CO)O7)O)O)O))Cl)))=O)=O))))Cl)
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
InChIKey:
NNPBOGAWNUIKAO-RJZBGXQMSA-N

Databases
MetaCyc:  CPD-11756
KEGG:  C19700
ChEBI:  595389
PubChem (CID):  45259192
Seed:  cpd20948
MetaNetX:  MNXM2613