Mrv1572004261618022D 78 77 0 0 1 0 999 V2000 14.9578 -2.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7980 -9.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1007 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2052 -3.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7143 -8.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0171 6.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5362 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9617 -7.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2645 6.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7836 -3.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8781 -7.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1809 5.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1146 -2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1255 -6.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4283 4.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3620 -2.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0419 -5.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3447 4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6930 -2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2893 -5.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 -2.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2057 -4.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5084 3.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8568 -3.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4531 -4.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7558 2.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0206 -4.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 -4.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6722 1.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 -5.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0315 -4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 -4.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 1.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8464 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6099 -4.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1774 -4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0834 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9409 -5.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 -4.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9998 -0.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 -4.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7558 -4.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 -0.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1047 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -4.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1635 -1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3521 -3.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 -4.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4109 -1.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2615 -4.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 -4.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 -3.9391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6831 -4.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 -4.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -4.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -5.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9963 -3.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9305 -3.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -4.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5747 -3.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2784 -3.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7109 -5.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7766 -1.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6203 -6.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5258 -4.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3694 -3.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 3.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4352 -3.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8677 -5.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3412 1.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 -5.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6826 -3.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4075 -4.7599 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 2 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 24 1 0 0 0 0 28 25 2 0 0 0 0 29 28 1 0 0 0 0 30 26 2 0 0 0 0 31 27 2 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 32 2 0 0 0 0 35 31 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 52 49 1 0 0 0 0 53 50 1 0 0 0 0 56 54 1 0 0 0 0 56 55 1 0 0 0 0 57 51 1 0 0 0 0 58 52 1 0 0 0 0 59 53 1 0 0 0 0 60 57 2 0 0 0 0 61 58 2 0 0 0 0 62 59 2 0 0 0 0 63 54 1 0 0 0 0 63 57 1 0 0 0 0 64 55 1 0 0 0 0 64 58 1 0 0 0 0 56 65 1 6 0 0 0 65 59 1 0 0 0 0 66 16 1 0 0 0 0 67 17 1 0 0 0 0 68 19 1 0 0 0 0 69 20 1 0 0 0 0 70 25 1 0 0 0 0 71 26 1 0 0 0 0 72 27 1 0 0 0 0 73 28 1 0 0 0 0 74 30 1 0 0 0 0 75 31 1 0 0 0 0 76 32 1 0 0 0 0 77 34 1 0 0 0 0 56 78 1 6 0 0 0 M END > CHEM039704 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COC(=O)CCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,30-32,34,56H,4-15,18,21-24,29,33,35-55H2,1-3H3/b19-16+,20-17+,28-25+,30-26+,31-27+,34-32+/t56-/m1/s1 > BAYJGANIIKHKCP-AYQYEFRWSA-N > C59H102O6 > 907.459 > 906.767641004 > 3 > 167 > 118.02531216918092 > 0 > 0 > 0 > 0 > (2R)-2-[(9E)-octadec-9-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (8E,11E,14E)-icosa-8,11,14-trienoate > 10.74 > 20.30916706433333 > -8.05 > 0 > 0 > 0 > -6.565867985382565 > 78.9 > 284.7979 > 52 > 0 > 8.10e-06 g/l > (2R)-2-[(9E)-octadec-9-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (8E,11E,14E)-icosa-8,11,14-trienoate > 0 > TG(18:2(9Z,12Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6] $$$$