Mrv1572004261618122D 80 79 0 0 1 0 999 V2000 32.1591 4.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5428 -8.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9085 -5.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3426 4.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0532 -8.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0364 5.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7470 -7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 -5.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2199 5.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2573 -6.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0519 -5.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9136 5.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9511 -5.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5622 -4.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0971 6.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4614 -5.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3787 -4.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7909 6.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2780 -5.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8891 -4.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9744 6.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7883 -4.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7056 -4.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4640 6.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6049 -4.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2160 -3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6475 6.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1372 5.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9111 -5.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0325 -3.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4434 5.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7276 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9330 4.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5428 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0338 -6.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2392 3.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3594 -3.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8503 -6.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7289 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8697 -2.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3607 -5.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9124 3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6862 -2.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0545 -5.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4020 2.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1966 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5648 -4.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7082 1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0131 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2586 -3.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1979 1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5235 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9731 -1.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1772 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6669 -0.9426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7689 -3.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5041 0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3400 -1.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5855 -3.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3206 0.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6462 -2.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4627 -2.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9937 -0.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8503 -0.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9304 -7.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0738 -6.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5868 5.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1552 -4.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3012 7.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5842 -6.1283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7702 5.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1152 -4.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3413 7.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4007 -6.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2599 4.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1165 4.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0351 2.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6062 3.8307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4834 -1.0604 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 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 1 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 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 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 1 0 0 0 65 59 1 0 0 0 0 66 8 1 0 0 0 0 67 11 1 0 0 0 0 68 16 1 0 0 0 0 69 17 1 0 0 0 0 70 19 1 0 0 0 0 71 20 1 0 0 0 0 72 25 1 0 0 0 0 73 26 1 0 0 0 0 74 28 1 0 0 0 0 75 30 1 0 0 0 0 76 32 1 0 0 0 0 77 34 1 0 0 0 0 78 40 1 0 0 0 0 79 43 1 0 0 0 0 56 80 1 1 0 0 0 M END > CHEM039740 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)OC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C59H100O6/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/h8,11,16-17,19-20,25-26,28,30,32,34,40,43,56H,4-7,9-10,12-15,18,21-24,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b11-8+,19-16+,20-17+,28-25+,30-26+,34-32+,43-40+/t56-/m0/s1 > ANMJACVOMYHOFB-MUNOEISBSA-N > C59H100O6 > 905.443 > 904.75199094 > 3 > 165 > 116.97135974283785 > 0 > 0 > 0 > 0 > (2S)-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]-2-(octadecanoyloxy)propyl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate > 10.70 > 19.94724540766667 > -8.12 > 0 > 0 > 0 > -6.565907583667803 > 78.9 > 285.91450000000003 > 51 > 0 > 6.94e-06 g/l > (2S)-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]-2-(octadecanoyloxy)propyl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate > 0 > TG(20:4(5Z,8Z,11Z,14Z)/18:0/18:3(9Z,12Z,15Z))[iso6] $$$$