InChI :InChI=1/C59H45Cl4N7O19.C9H15NO7/c1-64-42-20-3-6-33(73)37(12-20)87-25-17-28(41(63)35(75)18-25)45-56(82)66-44-22-13-38(88-36-7-4-21(9-29(36)60)49(76)47(57(83)67-45)69-53(42)79)51(78)39(14-22)89-52-30(61)10-23(11-31(52)62)50(77)48-58(84)68-46(59(85)86)27-15-24(71)16-34(74)40(27)26-8-19(2-5-32(26)72)43(54(80)70-48)65-55(44)81;1-2-3(11)10-4-5(12)6(13)7(8(14)15)17-9(4)16/h2-18,42-50,64,71-78H,1H3,(H,65,81)(H,66,82)(H,67,83)(H,68,84)(H,69,79)(H,70,80)(H,85,86);4-7,9,12-13,16H,2H2,1H3,(H,10,11)(H,14,15)/t;4-,5-,6+,7+,9?/m.1/s1
Std.InChI: InChI=1S/C59H45Cl4N7O19.C9H15NO7/c1-64-42-20-3-6-33(73)37(12-20)87-25-17-28(41(63)35(75)18-25)45-56(82)66-44-22-13-38(88-36-7-4-21(9-29(36)60)49(76)47(57(83)67-45)69-53(42)79)51(78)39(14-22)89-52-30(61)10-23(11-31(52)62)50(77)48-58(84)68-46(59(85)86)27-15-24(71)16-34(74)40(27)26-8-19(2-5-32(26)72)43(54(80)70-48)65-55(44)81;1-2-3(11)10-4-5(12)6(13)7(8(14)15)17-9(4)16/h2-18,42-50,64,71-78H,1H3,(H,65,81)(H,66,82)(H,67,83)(H,68,84)(H,69,79)(H,70,80)(H,85,86);4-7,9,12-13,16H,2H2,1H3,(H,10,11)(H,14,15)/t;4-,5-,6+,7+,9?/m.1/s1
InChIKey :ZHRODENVJFUAFN-PNKCYDOPBA
Std.InChIKey: ZHRODENVJFUAFN-PNKCYDOPSA-N
SMILES :CCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)C(=O)O)O)O.CNC1C2=CC(=C(C=C2)O)OC3=CC(=C(C(=C3)O)Cl)C4C(=O)NC5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7Cl)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC5=O)O)C(=O)O)O)Cl)O)OC2=C(C=C(C=C2)C(C(C(=O)N4)NC1=O)O)Cl
MDL: MFCD00865146