rebeccamycin
Chemical Formula:
C27H21N3O7CL2
Molecular Weight:
570.385 Daltons
Monoisotopic Mass:
569.0756554644 Daltons
SMILES:
COC1(C(CO)OC(C(C1O)O)N7(C2(C(=CC=CC=2C6(C3(C(NC(C=3C5(C4(C=CC=C(C=4NC=5C=67)Cl)))=O)=O)))Cl)))
InChI:
1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-11752
ChemSpider:
65891
KEGG:
C19701
ChEBI:
135511
PubChem (CID):
73110
Seed:
cpd20949
MetaNetX:
MNXM5916