Mrv1652303302021392D 72 71 0 0 1 0 999 V2000 11.1796 -5.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6105 3.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4295 -5.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 -6.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2582 2.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6073 -5.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7280 2.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1375 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4177 -6.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3756 1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3153 -5.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5955 -6.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5534 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8455 -4.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1257 -7.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0233 -4.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3035 -7.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3788 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5534 -3.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9511 -6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9090 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7312 -3.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4209 -5.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0868 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0685 -5.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2463 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 1.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 -4.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2614 -3.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0717 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9693 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4392 -3.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 -3.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4995 3.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9693 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 -3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6773 3.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -2.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5448 -2.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3249 2.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6773 -1.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7226 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5027 2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8551 -2.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3853 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -1.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3281 1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 -0.1186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5630 -1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 -1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9758 0.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 -2.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6655 -0.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4456 0.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0932 -0.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 -0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 0.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5502 2.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8455 0.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6709 -0.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0265 -0.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2431 -5.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7344 0.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5384 -4.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7948 1.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 -0.8646 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 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 25 2 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 1 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 6 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 25 1 0 0 0 0 69 26 1 0 0 0 0 70 27 1 0 0 0 0 71 29 1 0 0 0 0 54 72 1 6 0 0 0 M END > CDB002479 > CDB > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC > InChI=1S/C57H102O6/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/h8,11,17,20,25-27,29,54H,4-7,9-10,12-16,18-19,21-24,28,30-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-/t54-/m1/s1 > PDTAQKYFJJGDCD-YKXTZBHWSA-N > C57H102O6 > 883.437 > 882.767641004 > 3 > 165 > 115.93955245963623 > 0 > 0 > 0 > 0 > (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (11Z)-icos-11-enoate > 10.81 > 20.143873047666673 > -8.12 > 0 > 0 > 0 > -6.565867985366683 > 78.9 > 273.36269999999996 > 52 > 0 > 6.69e-06 g/l > (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (11Z)-icos-11-enoate > 0 > CDB002479 > TG(20:1(11Z)/18:3(9Z,12Z,15Z)/16:0) $$$$