Mrv1572004261618232D 99 98 0 0 0 0 999 V2000 1.5079 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5560 5.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 9.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8357 -2.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0478 5.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9665 8.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6552 -2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7200 6.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 7.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 -3.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2117 7.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 7.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 -3.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8839 8.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1304 6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -2.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3756 8.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6387 5.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1139 -2.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 8.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9665 5.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 -2.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6869 9.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5064 9.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 -0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8343 8.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6538 8.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9335 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9816 7.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4899 7.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0808 -0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8177 6.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9004 -0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3260 5.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2282 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5064 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 2.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0478 -1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0147 5.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0974 2.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3756 -1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3425 4.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9169 1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8839 -2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8508 3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2448 1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2117 -3.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1786 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0643 1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0312 -3.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6869 2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3921 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6869 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8508 0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5230 -2.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0147 1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2117 0.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3425 -2.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8343 1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7034 0.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 -2.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5230 0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5395 -0.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -1.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9004 6.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -4.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0312 7.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9665 -2.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0478 9.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8192 5.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -3.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5230 7.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 5.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -1.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9982 9.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 3.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5891 -0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3425 7.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 1.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8012 7.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5726 0.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6703 7.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1139 4.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7200 -0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6538 4.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7365 -1.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1786 6.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8673 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1621 4.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0643 -2.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0312 3.7096 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 2 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 2 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 18 1 0 0 0 0 79 19 1 0 0 0 0 80 20 1 0 0 0 0 81 21 1 0 0 0 0 82 25 1 0 0 0 0 83 26 1 0 0 0 0 84 27 1 0 0 0 0 85 28 1 0 0 0 0 86 29 1 0 0 0 0 87 32 1 0 0 0 0 88 33 1 0 0 0 0 89 34 1 0 0 0 0 90 35 1 0 0 0 0 91 36 1 0 0 0 0 92 39 1 0 0 0 0 93 40 1 0 0 0 0 94 42 1 0 0 0 0 95 43 1 0 0 0 0 96 48 1 0 0 0 0 97 49 1 0 0 0 0 98 51 1 0 0 0 0 99 52 1 0 0 0 0 M END > CHEM039776 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CC([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)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C65H98O6/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/h7-8,10-11,16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7+,11-8+,19-16+,20-17+,21-18+,28-25+,29-26+,34-32-,35-33+,36-27+,42-39+,43-40+,51-48+,52-49+ > MEIOXTFWWGQLIM-LCDLAILKSA-N > C65H98O6 > 975.493 > 974.736340876 > 3 > 169 > 119.9659262344909 > 0 > 0 > 0 > 0 > 3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 9.34 > 20.081205801000003 > -8.03 > 0 > 0 > 0 > -6.568162903553922 > 78.9 > 321.33669999999995 > 50 > 0 > 9.17e-06 g/l > 3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 0 > TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] $$$$