39859 -OEChem-05112409072D 83 82 0 1 0 0 0 0 0999 V2000 11.4050 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 8.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 4.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 5.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9050 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9050 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 9.5420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 10.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 8.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4050 8.0420 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7331 8.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 9.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3671 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 10.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6371 10.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6371 9.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 7.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 5.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 5.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 5.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 9.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 6.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 6.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4831 7.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8816 8.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 8.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 8.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 8.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4231 9.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 9.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0571 9.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8301 8.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 6.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3131 10.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5400 10.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6931 11.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1740 11.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3271 11.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1002 10.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1002 8.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9471 8.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1740 9.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 6.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 6.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 9.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 3.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 5.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 2.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 2.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2745 4.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0715 4.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 3.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 5.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.6760 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 18 1 0 0 0 0 2 70 1 0 0 0 0 3 19 1 0 0 0 0 3 71 1 0 0 0 0 4 36 1 0 0 0 0 4 78 1 0 0 0 0 5 37 1 0 0 0 0 5 79 1 0 0 0 0 6 38 1 0 0 0 0 6 80 1 0 0 0 0 7 39 1 0 0 0 0 7 81 1 0 0 0 0 8 82 1 0 0 0 0 9 83 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 26 1 0 0 0 0 18 46 1 0 0 0 0 19 27 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 29 33 1 0 0 0 0 29 67 1 0 0 0 0 30 34 2 0 0 0 0 30 68 1 0 0 0 0 31 35 2 0 0 0 0 31 69 1 0 0 0 0 32 36 2 0 0 0 0 32 38 1 0 0 0 0 33 37 2 0 0 0 0 33 39 1 0 0 0 0 34 36 1 0 0 0 0 34 72 1 0 0 0 0 35 37 1 0 0 0 0 35 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 M END > 39859 > 1 > 309 > 12 > 10 > 10 > AAADcfB7PABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADJzhmAYyBoLAAoCAAiBCADACAAAgIAAIiIAOCIgKNyKCkROEcAAl0BGYmAeQ4OQOIAACAAAIAABAAAQAABAAAAAAAAAAAA== > 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol;sulfuric acid > 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid > 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid > 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid > 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol;sulfuric acid > 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-phenol;sulfuric acid > InChI=1S/2C13H21NO3.H2O4S/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h2*4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4) > BNPSSFBOAGDEEL-UHFFFAOYSA-N > 576.27166678 > C26H44N2O10S > 576.7 > CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O > CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O > 228 > 576.27166678 > 0 > 39 > 0 > 2 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 18 2 3 26 28 8 26 30 8 27 29 8 27 31 8 28 32 8 29 33 8 19 3 3 30 34 8 31 35 8 32 36 8 33 37 8 34 36 8 35 37 8 $$$$