Mrv1572004261618242D 109108 0 0 0 0 999 V2000 4.3070 -12.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7910 8.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0065 7.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 -11.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9983 9.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2138 7.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 -11.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4039 8.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 6.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2886 -11.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6020 7.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2231 6.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0904 -10.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3946 7.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0249 5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6849 -9.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5928 6.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2323 5.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 -9.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9983 6.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 5.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 -8.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1965 5.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 -8.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6020 4.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 6.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0904 -7.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8094 4.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 6.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -7.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2149 4.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7401 5.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0812 -8.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4223 4.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5328 5.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8738 -8.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8278 3.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 4.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4683 -8.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0352 4.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5235 3.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2701 -7.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4407 3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 3.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 -7.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6481 3.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 2.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 -6.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0536 3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 -6.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2609 3.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2886 -5.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6665 2.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7033 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -4.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8646 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6849 -3.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2701 1.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6757 -1.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -0.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4683 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -3.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2609 0.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0812 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0812 -2.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8738 0.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6849 -0.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -12.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6112 8.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 6.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0812 -11.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0075 7.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6286 6.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 -10.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3854 6.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0341 4.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2886 -8.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2057 6.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 6.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7033 -7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8002 3.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 7.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -6.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6112 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1364 6.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 -9.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2241 5.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 5.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4459 -9.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0260 3.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1364 3.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8646 -6.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6388 2.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 2.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6849 -6.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4499 4.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 3.5163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 -5.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0628 4.3171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 -4.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8738 3.1731 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 27 2 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 2 0 0 0 0 38 35 2 0 0 0 0 39 36 2 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 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 2 0 0 0 0 47 44 2 0 0 0 0 48 45 2 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 2 0 0 0 0 56 53 2 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 60 57 1 0 0 0 0 61 58 1 0 0 0 0 62 59 1 0 0 0 0 63 60 1 0 0 0 0 66 64 1 0 0 0 0 66 65 1 0 0 0 0 67 61 1 0 0 0 0 68 62 1 0 0 0 0 69 63 1 0 0 0 0 70 67 2 0 0 0 0 71 68 2 0 0 0 0 72 69 2 0 0 0 0 73 64 1 0 0 0 0 73 67 1 0 0 0 0 74 65 1 0 0 0 0 74 68 1 0 0 0 0 75 66 1 0 0 0 0 75 69 1 0 0 0 0 76 7 1 0 0 0 0 77 8 1 0 0 0 0 78 9 1 0 0 0 0 79 10 1 0 0 0 0 80 11 1 0 0 0 0 81 12 1 0 0 0 0 82 16 1 0 0 0 0 83 17 1 0 0 0 0 84 18 1 0 0 0 0 85 19 1 0 0 0 0 86 20 1 0 0 0 0 87 21 1 0 0 0 0 88 25 1 0 0 0 0 89 26 1 0 0 0 0 90 27 1 0 0 0 0 91 28 1 0 0 0 0 92 29 1 0 0 0 0 93 30 1 0 0 0 0 94 34 1 0 0 0 0 95 35 1 0 0 0 0 96 36 1 0 0 0 0 97 37 1 0 0 0 0 98 38 1 0 0 0 0 99 39 1 0 0 0 0 100 43 1 0 0 0 0 101 44 1 0 0 0 0 102 45 1 0 0 0 0 103 46 1 0 0 0 0 104 47 1 0 0 0 0 105 48 1 0 0 0 0 106 52 1 0 0 0 0 107 53 1 0 0 0 0 108 55 1 0 0 0 0 109 56 1 0 0 0 0 M END > CHEM039780 > 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])CCCCCC(=O)OC(COC(=O)CC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC)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 > InChI=1S/C69H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,52-53,55-56,66H,4-6,13-15,22-24,31-33,40-42,49-51,54,57-65H2,1-3H3/b10-7-,11-8-,12-9+,19-16-,20-17+,21-18+,28-25-,29-26+,30-27-,37-34-,38-35+,39-36+,46-43+,47-44+,48-45+,55-52-,56-53- > AQFLXRHWZBMHMJ-SIPODASTSA-N > C69H100O6 > 1025.553 > 1024.75199094 > 3 > 175 > 125.47234255810383 > 0 > 0 > 0 > 0 > 3-[(4Z,7E,10E,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(7E,10E,13Z,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (4Z,7E,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.06 > 20.773715491000004 > -7.77 > 0 > 0 > 0 > -6.568162908148863 > 78.9 > 343.09049999999985 > 51 > 0 > 1.76e-05 g/l > 3-[(4Z,7E,10E,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(7E,10E,13Z,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (4Z,7E,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] $$$$