53250677 -OEChem-04192406372D 66 67 0 1 0 0 0 0 0999 V2000 6.5380 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 6.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4040 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7341 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0802 5.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4787 6.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4006 8.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6036 8.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6036 5.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4006 5.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9240 7.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5255 7.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 6.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9462 7.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3447 7.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 6 0 0 0 1 54 1 0 0 0 0 2 29 1 0 0 0 0 2 62 1 0 0 0 0 3 32 1 0 0 0 0 3 65 1 0 0 0 0 4 33 1 0 0 0 0 4 66 1 0 0 0 0 5 32 2 0 0 0 0 6 33 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 6 0 0 0 15 47 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 52 1 0 0 0 0 21 25 2 0 0 0 0 21 53 1 0 0 0 0 22 27 1 0 0 0 0 22 55 1 0 0 0 0 23 28 2 0 0 0 0 23 56 1 0 0 0 0 24 26 2 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 29 2 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 63 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 M END > 53250677 > 1 > 485 > 7 > 4 > 8 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgAACAAADRThmAYyDoMAAgCIAiDSCAACAAAgIAAIiAAOCMgINiKCkRKEcAAmwBGImYeQ4OQOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 4-[(1R,2S)-3-(4-benzyl-1-piperidyl)-1-hydroxy-2-methyl-propyl]phenol;maleic acid > (Z)-2-butenedioic acid;4-[(1R,2S)-1-hydroxy-2-methyl-3-[4-(phenylmethyl)-1-piperidinyl]propyl]phenol > 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol;(Z)-but-2-enedioic acid > 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol;(Z)-but-2-enedioic acid > (Z)-but-2-enedioic acid;4-[(1R,2S)-2-methyl-1-oxidanyl-3-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol > 4-[(1R,2S)-3-(4-benzylpiperidino)-1-hydroxy-2-methyl-propyl]phenol;maleic acid > InChI=1S/C22H29NO2.C4H4O4/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18;5-3(6)1-2-4(7)8/h2-10,17,19,22,24-25H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,22+;/m0./s1 > FYJZEHCQSUBZDY-SEELMCCHSA-N > 455.23078777 > C26H33NO6 > 455.5 > CC(CN1CCC(CC1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)O)O.C(=CC(=O)O)C(=O)O > C[C@@H](CN1CCC(CC1)CC2=CC=CC=C2)[C@H](C3=CC=C(C=C3)O)O.C(=C\C(=O)O)\C(=O)O > 118 > 455.23078777 > 0 > 33 > 2 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 16 1 6 15 18 6 17 20 8 17 21 8 19 22 8 19 23 8 20 24 8 21 25 8 22 27 8 23 28 8 24 26 8 25 26 8 27 29 8 28 29 8 $$$$