aclacinomycin N
Chemical Formula:
C42H56NO15
Molecular Weight:
814.902 Daltons
Monoisotopic Mass:
814.3649951343 Daltons
SMILES:
CCC4(C(C(=O)OC)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC(C(C(C)O6)OC7(CCC(C(C)O7)O))O))[N+](C)C))O)=O)O))=O)))O
InChI:
1S/C42H55NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24-25,27-31,35,39-40,44-46,49,51H,8,12-13,15-17H2,1-7H3/p+1/t18-,19-,20-,24-,25-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15528
PubChem (CID):
71627301
ChEBI:
74924
Seed:
cpd19900
MetaNetX:
MNXM10559
KEGG:
C18637