9831481 -OEChem-05122421452D 122122 0 1 0 0 0 0 0999 V2000 13.5273 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8727 15.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6047 19.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6047 15.9049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4086 7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4086 6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1406 6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1406 7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9086 8.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 9.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1406 9.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1406 10.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 11.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 11.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 12.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8727 12.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8727 13.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 14.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7387 14.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7387 15.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6047 16.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4708 17.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7387 17.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4708 18.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7387 18.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6047 18.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 7.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1965 6.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8761 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6732 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3527 6.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7512 7.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 8.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7886 7.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 7.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4455 9.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 9.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 8.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7377 9.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 7.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5436 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6967 8.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6776 9.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5846 11.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7377 11.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 10.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5436 11.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1813 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7828 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4697 12.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4096 12.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 14.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4697 14.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6967 13.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2757 14.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1417 15.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0077 17.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2018 17.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0077 18.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2018 18.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1417 20.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 1 0 0 0 1104 1 0 0 0 0 2 36 1 0 0 0 0 2111 1 0 0 0 0 3 44 2 0 0 0 0 4 50 1 0 0 0 0 4122 1 0 0 0 0 31 5 1 6 0 0 0 5105 1 0 0 0 0 5106 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 6117 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 51 1 0 0 0 0 8 52 1 0 0 0 0 9 11 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 16 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 17 2 0 0 0 0 15 63 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 27 1 0 0 0 0 17 67 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 68 1 0 0 0 0 18 69 1 0 0 0 0 19 21 1 0 0 0 0 19 70 1 0 0 0 0 19 71 1 0 0 0 0 20 22 1 0 0 0 0 20 72 1 0 0 0 0 20 73 1 0 0 0 0 21 23 1 0 0 0 0 21 74 1 0 0 0 0 21 75 1 0 0 0 0 22 24 1 0 0 0 0 22 76 1 0 0 0 0 22 77 1 0 0 0 0 23 25 1 0 0 0 0 23 78 1 0 0 0 0 23 79 1 0 0 0 0 24 26 1 0 0 0 0 24 80 1 0 0 0 0 24 81 1 0 0 0 0 25 28 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 26 29 1 0 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 27 33 1 0 0 0 0 27 35 2 0 0 0 0 28 31 1 0 0 0 0 28 86 1 0 0 0 0 29 30 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 32 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 36 1 0 0 0 0 31 91 1 0 0 0 0 32 34 1 0 0 0 0 32 92 1 0 0 0 0 32 93 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 33 96 1 0 0 0 0 34 37 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 35 38 1 0 0 0 0 35 99 1 0 0 0 0 36100 1 0 0 0 0 36101 1 0 0 0 0 37 39 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 38 40 2 0 0 0 0 38107 1 0 0 0 0 39108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 40 41 1 0 0 0 0 40112 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 42113 1 0 0 0 0 42114 1 0 0 0 0 42115 1 0 0 0 0 43 44 1 0 0 0 0 43116 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46118 1 0 0 0 0 47 49 2 0 0 0 0 47119 1 0 0 0 0 48 50 2 0 0 0 0 48120 1 0 0 0 0 49 50 1 0 0 0 0 49121 1 0 0 0 0 M END > 9831481 > 1 > 926 > 5 > 5 > 22 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAQCAAADjzhkAYyxoLAAgCIAiVSUACCAAAhIgAIiIAGbMgKNiLCkZOEcAhl1BHI2QewwOAPAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA== > (2S,3S)-2-aminooctadecane-1,3-diol;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide > (2S,3S)-2-aminooctadecane-1,3-diol;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide > (2S,3S)-2-aminooctadecane-1,3-diol;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide > (2S,3S)-2-aminooctadecane-1,3-diol;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide > (2S,3S)-2-azanyloctadecane-1,3-diol;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide > (2S,3S)-2-aminooctadecane-1,3-diol;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide > InChI=1S/C26H33NO2.C18H39NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29);17-18,20-21H,2-16,19H2,1H3/b9-6+,16-11+,19-8+,20-18+;/t;17-,18-/m.0/s1 > YLEXVWJNUCZRGD-HPRBXOQESA-N > 692.54920878 > C44H72N2O4 > 693.1 > CCCCCCCCCCCCCCCC(C(CO)N)O.CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C > CCCCCCCCCCCCCCC[C@@H]([C@H](CO)N)O.CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C > 116 > 692.54920878 > 0 > 50 > 2 > 0 > 4 > 0 > 0 > 2 > -1 > 1 5 255 > 28 1 5 45 46 8 45 47 8 46 48 8 47 49 8 48 50 8 49 50 8 31 5 6 $$$$