Mrv0541 02231220282D 67 66 0 0 1 0 999 V2000 18.9955 -12.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4246 -10.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7100 -13.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2811 -11.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1389 -12.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5667 -9.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5667 -15.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8521 -16.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5667 -14.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8521 -16.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2811 -14.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1377 -17.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2811 -13.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1377 -18.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9955 -13.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4232 -18.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7100 -11.1980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7100 -12.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7089 -18.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9955 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5654 -16.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2798 -17.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9943 -18.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8509 -17.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2798 -18.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1365 -16.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8534 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1389 -11.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5678 -11.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8521 -11.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2824 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5667 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4220 -17.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1377 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9968 -4.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4220 -12.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2824 -5.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4220 -13.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9968 -3.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7074 -12.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2824 -5.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1365 -13.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4232 -11.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9968 -11.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7112 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7074 -11.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5678 -6.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1365 -14.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7089 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7112 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5678 -7.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7112 -9.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8509 -14.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9943 -11.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2824 -7.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5654 -14.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9943 -12.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4257 -9.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9968 -7.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2798 -14.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7112 -8.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2798 -12.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4257 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7112 -7.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9943 -13.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9943 -14.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2798 -13.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 17 2 1 6 0 0 0 2 28 1 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 32 1 0 0 0 0 5 28 2 0 0 0 0 6 32 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 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 19 23 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 44 1 0 0 0 0 34 43 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 36 38 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 50 2 0 0 0 0 47 51 2 0 0 0 0 48 53 2 0 0 0 0 49 54 2 0 0 0 0 50 52 1 0 0 0 0 51 55 1 0 0 0 0 52 58 1 0 0 0 0 53 56 1 0 0 0 0 54 57 1 0 0 0 0 55 59 1 0 0 0 0 56 60 1 0 0 0 0 57 62 1 0 0 0 0 58 63 2 0 0 0 0 59 64 2 0 0 0 0 60 66 2 0 0 0 0 61 63 1 0 0 0 0 61 64 1 0 0 0 0 62 67 2 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 M END > BMDB0005476 > bmdb > CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-34,36-37,42-43,45-46,58H,4-15,22-24,30-31,35,38-41,44,47-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,45-42-,46-43-/t58-/m1/s1 > GXWBCAVCOMAOHT-VMCJOIRWSA-N > C61H98O6 > 927.4272 > 926.736340868 > 3 > 115.57755168960458 > 0 > 0 > 0 > 0 > (2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate > 10.17 > 19.750617767666668 > -8.26 > 0 > 0 > 0 > -6.565946018179283 > 78.9 > 298.4662999999999 > 50 > 0 > 5.06e-06 g/l > (2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate > 0 > BMDB0005476 > TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] > 1-linoleoyl-2-arachidonoyl-3-arachidonoyl-glycerol; TAG(18:2/20:4/20:4); TAG(18:2n6/20:4n6/20:4n6); TAG(18:2w6/20:4w6/20:4w6); TAG(58:10); TG(18:2/20:4/20:4); TG(18:2n6/20:4n6/20:4n6); TG(18:2w6/20:4w6/20:4w6); TG(58:10); Tracylglycerol(18:2/20:4/20:4); Tracylglycerol(18:2n6/20:4n6/20:4n6); Tracylglycerol(18:2w6/20:4w6/20:4w6); Tracylglycerol(58:10); Triacylglycerol; Triglyceride $$$$