56016 -OEChem-03282411302D 63 63 0 1 0 0 0 0 0999 V2000 4.2690 0.9050 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9050 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0950 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -3.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 4.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -2.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -2.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -4.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 -3.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -4.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 24 1 0 0 0 0 4 17 1 0 0 0 0 4 49 1 0 0 0 0 5 23 1 0 0 0 0 5 35 1 0 0 0 0 6 25 2 0 0 0 0 7 30 1 0 0 0 0 7 60 1 0 0 0 0 8 31 1 0 0 0 0 8 61 1 0 0 0 0 9 26 2 0 0 0 0 10 27 2 0 0 0 0 11 33 1 0 0 0 0 11 62 1 0 0 0 0 12 34 1 0 0 0 0 12 63 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 14 47 1 0 0 0 0 15 27 1 0 0 0 0 15 29 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 23 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 24 2 0 0 0 0 21 27 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 25 32 1 0 0 0 0 28 30 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 29 31 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 30 33 1 0 0 0 0 30 45 1 0 0 0 0 31 34 1 0 0 0 0 31 46 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END > 56016 > 1 > 668 > 9 > 7 > 13 > AAADceB7PAAAAwAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAwCAAADBzjmAYCwIPABgCIAgVQUACCAAAlAAAAiIEIRMgLMDLAlJGEYQhilgDbyQcci0COAAACQAAAAAAAAASAAAAAAAAAAAAAAA== > 5-[acetyl-(2-hydroxy-3-methoxy-propyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide > 5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide > 5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide > 5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide > N1,N3-bis[2,3-bis(oxidanyl)propyl]-5-[ethanoyl-(3-methoxy-2-oxidanyl-propyl)amino]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide > 5-[acetyl-(2-hydroxy-3-methoxy-propyl)amino]-N,N'-diglyceryl-2,4,6-triiodo-isophthalamide > InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34) > IUNJANQVIJDFTQ-UHFFFAOYSA-N > -2.5 > 834.8960 > C20H28I3N3O9 > 835.2 > CC(=O)N(CC(COC)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I > CC(=O)N(CC(COC)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I > 189 > 834.8960 > 0 > 35 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 19 8 18 20 8 19 21 8 20 22 8 21 24 8 22 24 8 17 4 3 30 7 3 31 8 3 $$$$