131764642 CDK 0829231232 61 60 0 0 0 0 0 0 0 0999 V2000 12.3674 3.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 2.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 3.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 4.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 3.3496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6529 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 21 1 1 6 0 0 0 2 20 2 0 0 0 0 3 22 1 0 0 0 0 3 26 1 0 0 0 0 4 23 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 38 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 39 2 0 0 0 0 35 37 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 43 2 0 0 0 0 39 42 1 0 0 0 0 41 45 2 0 0 0 0 42 47 1 0 0 0 0 43 44 1 0 0 0 0 44 48 1 0 0 0 0 45 46 1 0 0 0 0 46 49 1 0 0 0 0 47 52 2 0 0 0 0 48 51 2 0 0 0 0 49 53 2 0 0 0 0 50 51 1 0 0 0 0 50 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > CHEBI:196908 > TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:4(6Z,9Z,12Z,15Z)) > 2 > [(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-tetradecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate > C55H90O6 > 847.319 > 846.67374 > 0 > O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC > InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28-29,31,33,35-36,39,52H,4-7,9-10,12-15,18,21-23,27,30,32,34,37-38,40-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-,31-29-,35-33-,39-36-/t52-/m1/s1 > WBTQAQSZCCHSNK-RRQZYNRVSA-N $$$$