9543860 CDK 0910211424 47 46 0 0 0 0 0 0 0 0999 V2000 9.9524 -0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 -0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2393 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5248 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 -0.0495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6668 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0973 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -4.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5262 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5262 2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0973 4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2393 2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5248 2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5248 3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 19 2 1 1 0 0 0 2 23 1 0 0 0 0 3 16 2 0 0 0 0 4 24 1 0 0 0 0 5 23 2 0 0 0 0 6 7 1 0 0 0 0 6 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 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 15 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 M END > CHEBI:179083 > DG(17:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] > 2 > [(2S)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hydroxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > C42H68O5 > 653.001 > 652.50668 > 0 > O(C(=O)CCCCCCC/C=C\C/C=C\CCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO > InChI=1S/C42H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,21-22,25,27,40,43H,3-4,6,8-9,14-15,20,23-24,26,28-39H2,1-2H3/b7-5-,12-10-,13-11-,18-16-,19-17-,22-21-,27-25-/t40-/m0/s1 > FSAPHEIJIFGWAE-HFXSGTQWSA-N > LMGL02010195 $$$$