57380071 -OEChem-04232422452D 99100 0 1 0 0 0 0 0999 V2000 1.7202 3.2575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7123 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 3.3508 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0979 2.8508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0979 1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9639 3.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9639 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8299 2.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8299 1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 4.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3658 2.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7239 3.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7239 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3658 4.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 3.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6299 2.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6299 1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3658 5.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6338 2.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5511 1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 2.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 13.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 14.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 15.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 12.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 15.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0979 3.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4873 1.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 1.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 3.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5654 3.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5654 0.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 0.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 4.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4439 4.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9673 2.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7643 2.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 4.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7552 4.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1538 4.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 3.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1013 3.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1657 3.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1657 1.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9858 5.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3658 6.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 5.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2456 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 1.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 1.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4345 2.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 9.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 9.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 10.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 10.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 10.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 10.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 9.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 9.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 9.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 9.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 10.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 10.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 10.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 10.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 8.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 13.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 14.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 14.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 13.8979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 9.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 13.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 12.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 11.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 10.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 15.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 16.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 12.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 11.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 16.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 16.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 15.4435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 2 64 1 0 0 0 0 3 36 1 0 0 0 0 3 99 1 0 0 0 0 4 36 2 0 0 0 0 6 5 1 6 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 10 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 11 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 17 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 18 2 0 0 0 0 14 54 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 21 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 19 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 65 1 0 0 0 0 23 24 2 0 0 0 0 23 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 28 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 29 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 30 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 31 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 32 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 36 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 34 2 0 0 0 0 32 82 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 38 1 0 0 0 0 34 87 1 0 0 0 0 35 39 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 37 40 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 41 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 42 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 41 2 0 0 0 0 40 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 M END > 57380071 > 1 > 604 > 5 > 2 > 20 > AAADcfB+MABAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAADBwAAAHgQACAAADCzF2ASyD4MAAgiMAiDSCAADAIAgKBBIiBkOCIgIJjKikROEcAAkwBGomAeY2LOOgAABAAAYAAAQAAKAADAAAAAAAAAAAA== > (9Z,12Z)-octadeca-9,12-dienoic acid;(2S)-2-[propyl-[2-(2-thienyl)ethyl]amino]tetralin-5-ol > (9Z,12Z)-octadeca-9,12-dienoic acid;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol > (9Z,12Z)-octadeca-9,12-dienoic acid;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol > (9Z,12Z)-octadeca-9,12-dienoic acid;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol > (9Z,12Z)-octadeca-9,12-dienoic acid;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol > (9Z,12Z)-octadeca-9,12-dienoic acid;(2S)-2-[propyl-[2-(2-thienyl)ethyl]amino]tetralin-5-ol > InChI=1S/C19H25NOS.C18H32O2/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-7,13,16,21H,2,8-12,14H2,1H3;6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b;7-6-,10-9-/t16-;/m0./s1 > ASKUZDCNGHEGOX-DIKXZCHQSA-N > 595.40591585 > C37H57NO3S > 595.9 > CCCCCC=CCC=CCCCCCCCC(=O)O.CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O > CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O > 89 > 595.40591585 > 0 > 42 > 1 > 0 > 2 > 0 > 0 > 2 > -1 > 1 5 255 > 1 21 8 1 24 8 10 11 8 10 14 8 11 15 8 14 18 8 15 19 8 18 19 8 21 22 8 22 23 8 23 24 8 6 5 6 $$$$