66931666 -OEChem-03282405492D 69 68 0 1 0 0 0 0 0999 V2000 6.9446 11.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4093 10.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4414 10.7363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2504 11.3241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9414 12.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9414 12.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 11.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 11.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 10.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5478 12.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8765 12.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0062 12.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 12.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0659 11.5763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 10.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4414 10.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 11.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 51 1 0 0 0 0 2 10 2 0 0 0 0 3 25 1 0 0 0 0 3 69 1 0 0 0 0 4 25 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 25 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 23 2 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 26 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 28 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 24 27 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 26 27 2 0 0 0 0 26 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 28 68 1 0 0 0 0 M END > 66931666 > 1 > 369 > 5 > 3 > 15 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQCCALAAgCIACDSCAAAAAAgAAAICIGIAAgCABIAgSAEQAAEkACYAAOY2aCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (9Z,12Z)-octadeca-9,12-dienoic acid;(2S)-pyrrolidine-2-carboxylic acid > (9Z,12Z)-octadeca-9,12-dienoic acid;(2S)-2-pyrrolidinecarboxylic acid > (9Z,12Z)-octadeca-9,12-dienoic acid;(2S)-pyrrolidine-2-carboxylic acid > (9Z,12Z)-octadeca-9,12-dienoic acid;(2S)-pyrrolidine-2-carboxylic acid > (9Z,12Z)-octadeca-9,12-dienoic acid;(2S)-pyrrolidine-2-carboxylic acid > (9Z,12Z)-octadeca-9,12-dienoic acid;(2S)-proline > InChI=1S/C18H32O2.C5H9NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-5(8)4-2-1-3-6-4/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);4,6H,1-3H2,(H,7,8)/b7-6-,10-9-;/t;4-/m.0/s1 > PMARZKVKIWTJDO-ISKARVOYSA-N > 395.30355879 > C23H41NO4 > 395.6 > CCCCCC=CCC=CCCCCCCCC(=O)O.C1CC(NC1)C(=O)O > CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C1C[C@H](NC1)C(=O)O > 86.6 > 395.30355879 > 0 > 28 > 1 > 0 > 2 > 0 > 0 > 2 > -1 > 1 5 255 > 6 10 5 $$$$