Mrv1572004261618232D 95 94 0 0 0 0 999 V2000 10.1112 -8.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5574 -2.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 -5.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4776 -8.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3318 -1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1256 -6.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6184 -7.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4726 -1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3928 -7.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2470 -0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5336 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0264 -7.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3878 -0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 -5.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8008 -7.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1621 0.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9416 -6.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4344 -7.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7957 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7160 -6.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2087 -7.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5701 0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3495 -6.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8423 -8.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2037 -0.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1239 -6.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7015 -8.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0629 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3351 -9.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6965 -1.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1095 -9.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5557 -2.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7431 -9.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7813 -2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7575 -6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5175 -9.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6405 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1511 -9.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8661 -4.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5319 -6.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9255 -9.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2325 -3.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1655 -7.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0663 -8.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4582 -3.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9399 -6.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8407 -8.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3174 -4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5735 -7.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4743 -9.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5430 -4.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3479 -7.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3335 -9.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4022 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9815 -7.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9670 -10.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6278 -6.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7558 -7.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6566 -9.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5718 -7.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7974 -8.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7414 -10.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4870 -6.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3894 -7.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -10.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1206 -7.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2486 -8.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8822 -9.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7126 -7.0977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1638 -7.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9848 -6.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8390 -0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1672 -6.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8806 -1.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5752 -7.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3029 1.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2936 -8.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6549 -1.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6167 -7.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9781 -0.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9272 -9.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2885 -1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2503 -8.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1893 -3.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6023 -10.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1477 -2.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0103 -10.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7253 -4.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5591 -10.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3733 -2.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2071 -7.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9510 -5.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1078 -9.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9094 -4.3745 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 2 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 26 2 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 2 0 0 0 0 35 33 2 0 0 0 0 36 27 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 36 1 0 0 0 0 42 39 2 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 2 0 0 0 0 52 49 2 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 52 1 0 0 0 0 56 53 1 0 0 0 0 57 54 1 0 0 0 0 58 55 1 0 0 0 0 59 56 1 0 0 0 0 62 60 1 0 0 0 0 62 61 1 0 0 0 0 63 57 1 0 0 0 0 64 58 1 0 0 0 0 65 59 1 0 0 0 0 66 63 2 0 0 0 0 67 64 2 0 0 0 0 68 65 2 0 0 0 0 69 60 1 0 0 0 0 69 63 1 0 0 0 0 70 61 1 0 0 0 0 70 64 1 0 0 0 0 71 62 1 0 0 0 0 71 65 1 0 0 0 0 72 7 1 0 0 0 0 73 8 1 0 0 0 0 74 10 1 0 0 0 0 75 11 1 0 0 0 0 76 16 1 0 0 0 0 77 17 1 0 0 0 0 78 19 1 0 0 0 0 79 20 1 0 0 0 0 80 25 1 0 0 0 0 81 26 1 0 0 0 0 82 28 1 0 0 0 0 83 29 1 0 0 0 0 84 32 1 0 0 0 0 85 33 1 0 0 0 0 86 34 1 0 0 0 0 87 35 1 0 0 0 0 88 39 1 0 0 0 0 89 40 1 0 0 0 0 90 42 1 0 0 0 0 91 43 1 0 0 0 0 92 48 1 0 0 0 0 93 49 1 0 0 0 0 94 51 1 0 0 0 0 95 52 1 0 0 0 0 M END > CHEM039775 > chemdb > [H]C(CC)=C([H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCC(=O)OCC(COC(=O)CC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CC)OC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,18,21-24,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8+,19-16+,20-17+,28-25+,29-26+,34-32+,35-33+,42-39-,43-40+,51-48-,52-49+ > SBPDLKMUDWDEFF-DDSCCKSVSA-N > C65H102O6 > 979.525 > 978.767641004 > 3 > 173 > 123.98204405104195 > 0 > 0 > 0 > 0 > 3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10E,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 10.08 > 20.805049114333332 > -8.14 > 0 > 0 > 0 > -6.568162903553901 > 78.9 > 319.10349999999994 > 52 > 0 > 7.15e-06 g/l > 3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10E,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] $$$$