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SMILES: COC(=O)CCc1/c/2=C/c3c(c(c([nH]3)/C=C/3\N=C(/C=C/4\N=C(/C=c(/c1CC(=O)OC)\[nH]2)C(=C4CC(=O)OC)CCC(=O)OC)C(=C3CC(=O)OC)CCC(=O)OC)CCC(=O)OC)CC(=O)OC Canonical SMILES: COC(=O)CCC1=C(CC(=O)OC)/C/2=C/C3=N/C(=C\c4[nH]c(/C=c/5\[nH]/c(=C\C1=N2)/c(CC(=O)OC)c5CCC(=O)OC)c(CC(=O)OC)c4CCC(=O)OC)/C(=C3CCC(=O)OC)CC(=O)OC InChI: InChI=1S/C48H54N4O16/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-34-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-34)24-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)23-35-26(10-14-42(54)62-2)30(18-46(58)66-6)38(50-35)21-33(25)49-37/h21-24,49-50H,9-20H2,1-8H3/b33-21-,34-22-,35-23-,36-24-,37-22-,38-21-,39-24-,40-23- InChIKey: KBKZLUAVUDHBNV-GOJGWFAPSA-N
CBID:130550 http://www.chembase.cn/molecule-130550.html