Mrv1652304052011022D 71 70 0 0 1 0 999 V2000 11.3594 -6.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0857 -24.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0288 -6.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5770 -6.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8837 -24.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4484 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1013 -25.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6661 -7.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5926 -7.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8993 -25.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0857 -8.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3906 -8.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1169 -26.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3034 -9.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6082 -8.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9149 -26.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7230 -9.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4062 -9.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4953 -26.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9406 -10.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6238 -9.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2776 -25.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3603 -11.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4218 -10.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8580 -25.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6395 -10.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6404 -24.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4374 -11.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6551 -11.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8424 -24.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4530 -12.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6707 -12.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6248 -23.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4687 -13.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8268 -23.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5779 -12.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6863 -13.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6091 -22.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9976 -12.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4843 -14.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8112 -22.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2152 -13.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7019 -14.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5935 -21.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6349 -14.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4999 -15.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7956 -21.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8525 -14.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7175 -15.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5779 -20.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2721 -15.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5155 -16.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7799 -20.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1271 -17.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7487 -17.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5467 -18.2018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4898 -16.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7331 -16.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5623 -19.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2877 -16.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1528 -17.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1427 -18.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9094 -16.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5311 -17.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7643 -18.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1326 -27.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.2933 -26.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6560 -25.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.2207 -23.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3291 -17.4061 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 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 32 1 0 0 0 0 34 31 1 0 0 0 0 35 33 1 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 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 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 17 1 0 0 0 0 68 20 1 0 0 0 0 69 26 1 0 0 0 0 70 28 1 0 0 0 0 57 71 1 1 0 0 0 M END > BMDB0098197 > bmdb > [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,57H,4-16,18-19,21-25,27,29-56H2,1-3H3/b20-17-,28-26-/t57-/m0/s1 > PLTXUCXQVCAYCR-SEUCEGGKSA-N > C60H112O6 > 929.55 > 928.845891326 > 3 > 178 > 125.05339225351725 > 0 > 0 > 0 > 0 > (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propyl docosanoate > 10.77 > 22.201422356000002 > -8.06 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 284.9325 > 57 > 0 > 8.08e-06 g/l > (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(pentadecanoyloxy)propyl docosanoate > 0 > BMDB0098197 > TG(15:0/20:2n6/22:0) $$$$