Mrv1652304052015502D 73 72 0 0 1 0 999 V2000 13.3425 -10.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1949 -2.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4650 -10.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4650 -1.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7350 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4226 -9.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2751 -1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1949 -8.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6927 -8.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5451 -0.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4650 -7.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5028 -8.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3553 -0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9249 -7.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7729 -7.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6253 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1949 -6.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5830 -7.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4354 0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6548 -5.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8530 -6.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7055 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9249 -5.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6632 -6.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5156 1.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9332 -5.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7857 2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7433 -5.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0134 -4.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2456 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8235 -4.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5156 3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0936 -3.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9755 4.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9037 -3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3848 -4.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1654 4.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1737 -2.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6253 4.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9839 -2.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6548 -3.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8152 4.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2539 -1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5451 3.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0641 -1.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3848 -2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7350 3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3341 -0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8447 -1.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4650 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1442 -0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5746 1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4945 1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3046 1.1579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.6548 2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4143 0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5746 -0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 3.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8742 0.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7645 -0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3848 2.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2244 0.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8447 0.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0557 1.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5958 2.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.3258 3.9643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.2456 5.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.8954 5.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2751 5.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7645 1.7815 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 1 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 1 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 1 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 30 29 1 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 2 0 0 0 0 36 34 1 0 0 0 0 37 24 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 37 1 0 0 0 0 43 40 2 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 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 57 55 1 0 0 0 0 57 56 1 0 0 0 0 58 52 1 0 0 0 0 59 53 1 0 0 0 0 60 54 1 0 0 0 0 61 58 2 0 0 0 0 62 59 2 0 0 0 0 63 60 2 0 0 0 0 64 55 1 0 0 0 0 64 58 1 0 0 0 0 65 56 1 0 0 0 0 65 59 1 0 0 0 0 57 66 1 6 0 0 0 66 60 1 0 0 0 0 67 26 1 0 0 0 0 68 28 1 0 0 0 0 69 33 1 0 0 0 0 70 35 1 0 0 0 0 71 40 1 0 0 0 0 72 43 1 0 0 0 0 57 73 1 6 0 0 0 M END > BMDB0100569 > bmdb > [H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h26,28,33,35,40,43,57H,4-25,27,29-32,34,36-39,41-42,44-56H2,1-3H3/b28-26-,35-33-,43-40-/t57-/m1/s1 > GGFUEZBPJPJGGR-KFSQDJBRSA-N > C60H110O6 > 927.534 > 926.830241262 > 3 > 176 > 124.91521530716795 > 0 > 0 > 0 > 0 > (2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(pentadecanoyloxy)propyl docosanoate > 10.88 > 21.839500699333332 > -8.14 > 0 > 0 > 0 > -6.56590758366778 > 78.9 > 286.0491 > 56 > 0 > 6.65e-06 g/l > (2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(pentadecanoyloxy)propyl docosanoate > 0 > BMDB0100569 > TG(22:0/15:0/20:3(5Z,8Z,11Z)) $$$$