325003 -OEChem-05092422582D 69 69 0 1 0 0 0 0 0999 V2000 12.6002 8.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 11.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 15.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 16.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 8.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 7.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1002 9.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1002 7.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 4.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4651 13.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 14.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 14.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 15.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 9.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 8.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 7.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 8.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 9.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 7.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 7.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 10.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 5.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 6.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 12.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 11.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 13.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 13.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 15.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 16.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 8.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 2 22 1 0 0 0 0 2 60 1 0 0 0 0 3 23 1 0 0 0 0 3 61 1 0 0 0 0 4 30 1 0 0 0 0 4 64 1 0 0 0 0 5 31 1 0 0 0 0 5 65 1 0 0 0 0 6 34 1 0 0 0 0 6 66 1 0 0 0 0 7 35 1 0 0 0 0 7 67 1 0 0 0 0 8 68 1 0 0 0 0 9 69 1 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 12 48 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 23 25 1 0 0 0 0 23 55 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 56 1 0 0 0 0 27 31 1 0 0 0 0 27 57 1 0 0 0 0 28 32 2 0 0 0 0 28 58 1 0 0 0 0 29 33 2 0 0 0 0 29 59 1 0 0 0 0 30 34 2 0 0 0 0 31 35 2 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 33 35 1 0 0 0 0 33 63 1 0 0 0 0 M END > 325003 > 1 > 499 > 12 > 10 > 13 > AAADcfB7PABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADBThmAYwBoLAAoCAAiBCADACAAAgIAAIiIAOiIgLNiKCkROEcAEk0BGZmAfQ8LYOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]hexylamino]-1-hydroxy-ethyl]benzene-1,2-diol;sulfuric acid > 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid > 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid > 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid > 4-[2-[6-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]hexylamino]-1-oxidanyl-ethyl]benzene-1,2-diol;sulfuric acid > 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]hexylamino]-1-hydroxy-ethyl]pyrocatechol;sulfuric acid > InChI=1S/C22H32N2O6.H2O4S/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;1-5(2,3)4/h5-8,11-12,21-30H,1-4,9-10,13-14H2;(H2,1,2,3,4) > GTDCHGNGVGRHQY-UHFFFAOYSA-N > 518.19341646 > C22H34N2O10S > 518.6 > C1=CC(=C(C=C1C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O)O)O.OS(=O)(=O)O > C1=CC(=C(C=C1C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O)O)O.OS(=O)(=O)O > 228 > 518.19341646 > 0 > 35 > 0 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 22 2 3 24 26 8 24 28 8 25 27 8 25 29 8 26 30 8 27 31 8 28 32 8 29 33 8 23 3 3 30 34 8 31 35 8 32 34 8 33 35 8 $$$$