Mrv1572004261618112D 96 95 0 0 1 0 999 V2000 9.0750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 12.8605 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 8.2500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2125 12.1460 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 7.8375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 12.1460 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 7.0125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9750 11.4315 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 6.6000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 11.4315 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 7.0125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 10.7171 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 6.6000 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 10.7171 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 7.0125 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.0000 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 15.6750 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.0000 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 15.2625 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 4.2868 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 11.5500 4.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 5.7158 0.0000 C 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 9.9713 3.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 2.8579 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 8.2500 -1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 0.0000 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 7.8375 -2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 10.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 11.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 11.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 9.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 10.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 -1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 10.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 8.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 3.5724 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 1 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 30 1 0 0 0 0 32 29 1 0 0 0 0 33 31 2 0 0 0 0 34 27 2 0 0 0 0 35 33 1 0 0 0 0 36 32 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 2 0 0 0 0 40 37 1 0 0 0 0 41 38 2 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 2 0 0 0 0 49 46 1 0 0 0 0 50 47 2 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 60 58 1 0 0 0 0 60 59 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 57 1 0 0 0 0 64 61 2 0 0 0 0 65 62 2 0 0 0 0 66 63 2 0 0 0 0 67 58 1 0 0 0 0 67 61 1 0 0 0 0 68 59 1 0 0 0 0 68 62 1 0 0 0 0 60 69 1 6 0 0 0 69 63 1 0 0 0 0 70 7 1 0 0 0 0 71 9 1 0 0 0 0 72 10 1 0 0 0 0 73 12 1 0 0 0 0 74 16 1 0 0 0 0 75 17 1 0 0 0 0 76 18 1 0 0 0 0 77 19 1 0 0 0 0 78 20 1 0 0 0 0 79 21 1 0 0 0 0 80 25 1 0 0 0 0 81 26 1 0 0 0 0 82 27 1 0 0 0 0 83 28 1 0 0 0 0 84 29 1 0 0 0 0 85 31 1 0 0 0 0 86 33 1 0 0 0 0 87 34 1 0 0 0 0 88 36 1 0 0 0 0 89 38 1 0 0 0 0 90 39 1 0 0 0 0 91 41 1 0 0 0 0 92 45 1 0 0 0 0 93 47 1 0 0 0 0 94 48 1 0 0 0 0 95 50 1 0 0 0 0 60 96 1 6 0 0 0 M END > CHEM039735 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=O)OC[C@]([H])(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)CCC\C([H])=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-39,41,45,47-48,50,60H,4-6,8,11,13-15,22-24,30,32,35,37,40,42-44,46,49,51-59H2,1-3H3/b10-7+,12-9+,19-16+,20-17+,21-18+,28-25+,29-26+,33-31+,34-27+,39-36+,41-38+,48-45-,50-47+/t60-/m1/s1 > OWHDLPOTIQFXOJ-FXVJTYQVSA-N > C63H96O6 > 949.455 > 948.720690811 > 3 > 165 > 117.17580593651725 > 0 > 0 > 0 > 0 > (2R)-2-[(5Z,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 9.37 > 19.553990127666665 > -8.02 > 0 > 0 > 0 > -6.567052461149263 > 78.9 > 311.01809999999995 > 49 > 0 > 8.97e-06 g/l > (2R)-2-[(5Z,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 0 > TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$