2423 -OEChem-04172420262D 73 72 0 1 0 0 0 0 0999 V2000 16.3933 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8794 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6394 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9494 -1.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7963 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5694 -0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2374 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4774 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 28 1 0 0 0 0 2 32 1 0 0 0 0 2 71 1 0 0 0 0 3 32 2 0 0 0 0 4 34 1 0 0 0 0 4 72 1 0 0 0 0 5 35 1 0 0 0 0 5 73 1 0 0 0 0 6 34 2 0 0 0 0 7 35 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 19 2 3 0 0 0 12 43 1 0 0 0 0 13 17 2 3 0 0 0 13 44 1 0 0 0 0 14 20 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 21 1 0 0 0 0 16 24 2 3 0 0 0 17 49 1 0 0 0 0 18 22 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 23 1 0 0 0 0 19 52 1 0 0 0 0 20 25 2 3 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 26 2 3 0 0 0 22 57 1 0 0 0 0 23 27 1 0 0 0 0 23 30 2 3 0 0 0 24 29 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 27 32 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 31 2 3 0 0 0 29 66 1 0 0 0 0 30 34 1 0 0 0 0 30 67 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 M END > 2423 > 1 > 898 > 7 > 3 > 17 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICCAAABgCIAiDSCAAAAAAgAAAICAEAAEgIBBIAIQAAUAAEwAAIsYIAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-docosa-2,4,8,10,14,18,20-heptaenedioic acid > 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid > 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid > 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid > 20-(2-hydroxy-2-oxoethyl)-6-methoxy-2,5,17-trimethyl-docosa-2,4,8,10,14,18,20-heptaenedioic acid > 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-docosa-2,4,8,10,14,18,20-heptaenedioic acid > InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34) > SHCXABJSXUACKU-UHFFFAOYSA-N > 5.7 > 486.26175355 > C28H38O7 > 486.6 > CC(CC=CCCC=CC=CCC(C(=CC=C(C)C(=O)O)C)OC)C=CC(=CC(=O)O)CC(=O)O > CC(CC=CCCC=CC=CCC(C(=CC=C(C)C(=O)O)C)OC)C=CC(=CC(=O)O)CC(=O)O > 121 > 486.26175355 > 0 > 35 > 0 > 2 > 0 > 7 > 0 > 1 > -1 > 1 5 255 > 10 14 3 12 19 1 13 17 1 16 24 1 20 25 1 22 26 1 23 30 1 29 31 1 8 11 3 $$$$