Mrv1572004261618202D 97 96 0 0 0 0 999 V2000 4.5375 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 7.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 11.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 10.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 8.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9750 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 7.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 7.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 7.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 2.8579 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 2 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 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 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 9 1 0 0 0 0 75 10 1 0 0 0 0 76 11 1 0 0 0 0 77 12 1 0 0 0 0 78 16 1 0 0 0 0 79 17 1 0 0 0 0 80 18 1 0 0 0 0 81 19 1 0 0 0 0 82 20 1 0 0 0 0 83 21 1 0 0 0 0 84 25 1 0 0 0 0 85 26 1 0 0 0 0 86 27 1 0 0 0 0 87 28 1 0 0 0 0 88 29 1 0 0 0 0 89 32 1 0 0 0 0 90 33 1 0 0 0 0 91 34 1 0 0 0 0 92 35 1 0 0 0 0 93 36 1 0 0 0 0 94 39 1 0 0 0 0 95 40 1 0 0 0 0 96 42 1 0 0 0 0 97 43 1 0 0 0 0 M END > CHEM039767 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=O)OC(COC(=O)CCCCC\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)COC(=O)CCCCC\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 > InChI=1S/C65H100O6/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/h7-12,16-21,25-29,32-36,39-40,42-43,62H,4-6,13-15,22-24,30-31,37-38,41,44-61H2,1-3H3/b10-7+,11-8+,12-9+,19-16+,20-17+,21-18+,28-25+,29-26+,34-32+,35-33+,36-27+,42-39+,43-40+ > CJLFAMUPGLSRFA-IRVCDFICSA-N > C65H100O6 > 977.509 > 976.75199094 > 3 > 171 > 121.15159549365063 > 0 > 0 > 0 > 0 > 3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propyl (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate > 9.53 > 20.443127457666666 > -8.05 > 0 > 0 > 0 > -6.5658679947858 > 78.9 > 320.22009999999995 > 51 > 0 > 8.79e-06 g/l > 3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propyl (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate > 0 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] $$$$