Mrv1652304052015512D 75 74 0 0 1 0 999 V2000 -15.3257 7.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 -3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5816 7.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8500 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -4.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0284 7.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 -4.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4141 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5527 6.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7007 -5.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5925 6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7312 6.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5223 -5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2465 5.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2555 5.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -6.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4249 5.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4339 6.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 -6.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 4.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9582 5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1655 -5.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2574 4.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1366 5.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9871 -5.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6610 4.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3330 -4.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8394 4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3637 4.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8574 -3.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5421 4.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2033 -3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0665 3.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7276 -2.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2449 3.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9115 3.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -2.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7692 2.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4304 -1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9476 3.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0899 3.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 2.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1331 -1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 2.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 3.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3115 -1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5764 2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8359 -0.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3531 1.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 2.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5802 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 0.6287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0143 -0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8775 1.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4089 1.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6683 -1.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 0.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5386 0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 1.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 -4.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -6.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -6.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2952 -6.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4627 -5.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1546 -4.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0249 -2.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0736 -1.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 -0.1203 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 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 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 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 1 0 0 0 66 60 1 0 0 0 0 67 8 1 0 0 0 0 68 11 1 0 0 0 0 69 17 1 0 0 0 0 70 20 1 0 0 0 0 71 26 1 0 0 0 0 72 28 1 0 0 0 0 73 33 1 0 0 0 0 74 35 1 0 0 0 0 57 75 1 1 0 0 0 M END > BMDB0100577 > bmdb > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C60H108O6/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/h8,11,17,20,26,28,33,35,57H,4-7,9-10,12-16,18-19,21-25,27,29-32,34,36-56H2,1-3H3/b11-8-,20-17-,28-26-,35-33-/t57-/m1/s1 > FVEDWRXODNLNKU-JSDWPFDRSA-N > C60H108O6 > 925.518 > 924.814591198 > 3 > 174 > 123.03966883314916 > 0 > 0 > 0 > 0 > (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(pentadecanoyloxy)propyl docosanoate > 10.87 > 21.47757904266667 > -8.19 > 0 > 0 > 0 > -6.565867985382521 > 78.9 > 287.1657 > 55 > 0 > 5.95e-06 g/l > (2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(pentadecanoyloxy)propyl docosanoate > 0 > BMDB0100577 > TG(22:0/15:0/20:4(8Z,11Z,14Z,17Z)) $$$$