Mrv1652304052015272D 74 73 0 0 1 0 999 V2000 9.7873 5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3402 9.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9309 9.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3274 6.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1503 9.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2010 8.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4204 8.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6609 8.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6776 7.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2305 8.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9309 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4877 6.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7706 9.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3908 6.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0278 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5807 9.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6609 6.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8379 7.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1208 9.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1208 5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3780 7.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8508 10.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3107 5.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1882 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3908 11.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7283 8.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5384 8.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1208 12.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0785 8.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0406 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8886 8.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3107 12.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2305 6.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4287 9.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0406 12.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9604 7.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2388 9.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2305 13.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1503 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7789 9.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6904 12.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8803 8.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5891 9.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8803 12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0701 8.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1292 10.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3402 12.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8001 9.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9393 10.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5300 12.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9098 10.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8296 11.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6397 11.1075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9900 9.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4794 10.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9900 11.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4499 8.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2093 11.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2600 10.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7199 10.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2895 10.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1798 11.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6102 9.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5005 7.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.8508 8.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.6609 10.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.3908 4.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.7706 5.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.1704 11.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.6609 12.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5807 13.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9604 13.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0996 10.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 2 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 27 1 0 0 0 0 29 26 2 0 0 0 0 30 28 1 0 0 0 0 31 24 1 0 0 0 0 32 30 1 0 0 0 0 33 29 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 2 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 54 52 1 0 0 0 0 54 53 1 0 0 0 0 55 49 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 55 2 0 0 0 0 59 56 2 0 0 0 0 60 57 2 0 0 0 0 61 52 1 0 0 0 0 61 55 1 0 0 0 0 62 53 1 0 0 0 0 62 56 1 0 0 0 0 54 63 1 1 0 0 0 63 57 1 0 0 0 0 64 8 1 0 0 0 0 65 11 1 0 0 0 0 66 17 1 0 0 0 0 67 20 1 0 0 0 0 68 21 1 0 0 0 0 69 24 1 0 0 0 0 70 26 1 0 0 0 0 71 29 1 0 0 0 0 72 36 1 0 0 0 0 73 39 1 0 0 0 0 54 74 1 1 0 0 0 M END > BMDB0100387 > bmdb > [H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC > InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,36,39,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,39-36-/t54-/m1/s1 > ZTNCEOWHIGXJAM-CAYPXVCWSA-N > C57H100O6 > 881.421 > 880.75199094 > 3 > 163 > 116.4687043698938 > 0 > 0 > 0 > 0 > (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(6Z,9Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl icosanoate > 10.81 > 19.781951391 > -8.15 > 0 > 0 > 0 > -6.5658686010866605 > 78.9 > 274.47929999999997 > 51 > 0 > 6.20e-06 g/l > (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(6Z,9Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl icosanoate > 0 > BMDB0100387 > TG(20:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z)) $$$$