10-decarboxymethyl, 10-hydroxyaclacinomycin A
Chemical Formula:
C40H52NO14
Molecular Weight:
770.849 Daltons
Monoisotopic Mass:
770.3387803838 Daltons
SMILES:
CCC4(C(O)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/C40H51NO14/c1-7-40(49)16-27(32-22(39(40)48)13-21-33(36(32)47)35(46)31-20(34(21)45)9-8-10-25(31)43)53-29-14-23(41(5)6)37(18(3)51-29)55-30-15-26(44)38(19(4)52-30)54-28-12-11-24(42)17(2)50-28/h8-10,13,17-19,23,26-30,37-39,43-44,47-49H,7,11-12,14-16H2,1-6H3/p+1/t17-,18-,19-,23-,26-,27-,28-,29-,30-,37+,38+,39?,40+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15786
PubChem (CID):
90658760
MetaNetX:
MNXM148602