70454558 -OEChem-05142415232D 97 97 0 1 0 0 0 0 0999 V2000 2.2690 7.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6735 13.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5395 12.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 3.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.8910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9414 7.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8075 8.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8075 9.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.8910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9414 6.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 8.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8075 11.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8075 12.3890 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9414 9.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6735 9.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9414 10.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6735 10.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9414 12.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6735 12.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0390 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9414 8.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0195 7.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4181 8.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3214 6.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9414 6.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5615 6.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3854 8.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5385 8.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7654 7.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2705 12.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4045 9.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2104 9.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4045 11.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2104 11.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 8.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 8.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 8.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 8.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2515 13.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4045 13.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6314 12.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 8.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 6.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 5.3541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4609 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0624 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6216 3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9314 3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 7.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 8.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 10.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 9.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 9.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 10.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 10.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7290 0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2104 14.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8490 4.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 27 1 0 0 0 0 2 33 1 0 0 0 0 2 93 1 0 0 0 0 3 35 1 0 0 0 0 3 94 1 0 0 0 0 4 35 2 0 0 0 0 5 46 1 0 0 0 0 5 95 1 0 0 0 0 6 46 2 0 0 0 0 7 47 1 0 0 0 0 7 96 1 0 0 0 0 8 48 1 0 0 0 0 8 97 1 0 0 0 0 9 47 2 0 0 0 0 10 48 2 0 0 0 0 11 28 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 26 1 0 0 0 0 19 29 2 0 0 0 0 20 30 1 0 0 0 0 20 35 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 21 60 1 0 0 0 0 22 24 2 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 26 34 2 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 37 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 41 1 0 0 0 0 31 72 1 0 0 0 0 32 42 2 0 0 0 0 32 73 1 0 0 0 0 33 39 1 0 0 0 0 33 40 1 0 0 0 0 33 46 1 0 0 0 0 34 38 1 0 0 0 0 34 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 37 38 2 0 0 0 0 37 78 1 0 0 0 0 38 79 1 0 0 0 0 39 47 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 48 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 41 43 2 0 0 0 0 41 84 1 0 0 0 0 42 43 1 0 0 0 0 42 85 1 0 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 45 90 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 M END > 70454558 > 1 > 690 > 11 > 5 > 15 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgAACAAADVThmAYyCIMABgCIAiDSCAICAAAgAAAIiAFICIgLJjaANRiDcAAl4AEZqAfL7uCOwAAAAAAQAACAAAAAACAAAAAAAAAAAA== > citric acid;N,N-dimethyl-2-[o-tolyl(phenyl)methoxy]ethanamine;2-(4-isobutylphenyl)propanoic acid > N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > N,N-dimethyl-2-[(2-methylphenyl)-phenyl-methoxy]ethanamine;2-[4-(2-methylpropyl)phenyl]propanoic acid;2-oxidanylpropane-1,2,3-tricarboxylic acid > citric acid;dimethyl-[2-[o-tolyl(phenyl)methoxy]ethyl]amine;2-(4-isobutylphenyl)propionic acid > InChI=1S/C18H23NO.C13H18O2.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;4-7,9-10H,8H2,1-3H3,(H,14,15);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) > QQMBUEWECGPJOK-UHFFFAOYSA-N > 667.33564676 > C37H49NO10 > 667.8 > CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O > CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O > 182 > 667.33564676 > 0 > 48 > 0 > 2 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 15 1 3 14 21 8 14 22 8 18 23 8 18 24 8 19 26 8 19 29 8 20 30 3 21 23 8 22 24 8 25 31 8 25 32 8 26 34 8 29 37 8 31 41 8 32 42 8 34 38 8 37 38 8 41 43 8 42 43 8 $$$$