51692887 -OEChem-05102422502D 55 54 0 1 0 0 0 0 0999 V2000 10.3312 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 0.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7828 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9494 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7963 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5694 -1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 45 1 0 0 0 0 14 2 1 6 0 0 0 2 47 1 0 0 0 0 15 3 1 6 0 0 0 3 48 1 0 0 0 0 4 20 1 0 0 0 0 4 52 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 17 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 M END > 51692887 > 1 > 351 > 5 > 4 > 14 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgBFBIAAQAAUAAEwAAJEAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (9R,10E,12R,13R,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid > (9R,10E,12R,13R,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid > (9R,10E,12R,13R,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid > (9R,10E,12R,13R,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid > (9R,10E,12R,13R,15Z)-9,12,13-tris(oxidanyl)octadeca-10,15-dienoic acid > (9R,10E,12R,13R,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid > InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16-,17-/m1/s1 > MKYUCBXUUSZMQB-CADTUUFHSA-N > 2.6 > 328.22497412 > C18H32O5 > 328.4 > CCC=CCC(C(C=CC(CCCCCCCC(=O)O)O)O)O > CC/C=C\C[C@H]([C@@H](/C=C/[C@@H](CCCCCCCC(=O)O)O)O)O > 98 > 328.22497412 > 0 > 23 > 3 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 5 14 2 6 15 3 6 $$$$