Mrv1572004261618222D 106105 0 0 1 0 999 V2000 15.4460 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4447 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1605 -6.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4447 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8749 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1592 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5894 -6.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8737 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3039 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9868 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5881 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3039 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9868 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0184 -4.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0184 -3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0171 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3039 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 2.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0171 2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3039 -2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 2.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5894 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 2.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8749 -2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 3.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1605 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4460 -2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5881 3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7315 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8737 3.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7315 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1592 3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0171 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4447 3.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 -1.4289 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 10.4447 2.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5881 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7302 2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8737 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7302 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1592 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5868 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4447 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4447 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7302 -0.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7302 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8724 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -0.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8749 -5.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9868 -1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4447 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5894 -7.2039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 0.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8737 1.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5894 -4.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 1.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0171 -0.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7328 -5.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 1.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5881 1.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5894 -3.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 3.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7315 2.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0184 -2.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 1.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5881 2.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8749 -3.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1605 -1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 1.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5881 4.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0171 -2.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -0.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8737 2.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4460 -1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 0.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7302 3.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 -2.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1592 2.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8737 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -1.8414 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 31 1 0 0 0 0 34 32 1 0 0 0 0 35 30 1 0 0 0 0 36 33 2 0 0 0 0 37 34 2 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 35 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 2 0 0 0 0 45 42 2 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 2 0 0 0 0 53 50 2 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 60 57 1 0 0 0 0 61 58 1 0 0 0 0 64 62 1 0 0 0 0 64 63 1 0 0 0 0 65 59 1 0 0 0 0 66 60 1 0 0 0 0 67 61 1 0 0 0 0 68 65 2 0 0 0 0 69 66 2 0 0 0 0 70 67 2 0 0 0 0 71 62 1 0 0 0 0 71 65 1 0 0 0 0 72 63 1 0 0 0 0 72 66 1 0 0 0 0 64 73 1 6 0 0 0 73 67 1 0 0 0 0 74 7 1 0 0 0 0 75 8 1 0 0 0 0 76 9 1 0 0 0 0 77 10 1 0 0 0 0 78 11 1 0 0 0 0 79 12 1 0 0 0 0 80 16 1 0 0 0 0 81 17 1 0 0 0 0 82 18 1 0 0 0 0 83 19 1 0 0 0 0 84 20 1 0 0 0 0 85 21 1 0 0 0 0 86 25 1 0 0 0 0 87 26 1 0 0 0 0 88 27 1 0 0 0 0 89 28 1 0 0 0 0 90 29 1 0 0 0 0 91 30 1 0 0 0 0 92 33 1 0 0 0 0 93 34 1 0 0 0 0 94 36 1 0 0 0 0 95 37 1 0 0 0 0 96 40 1 0 0 0 0 97 41 1 0 0 0 0 98 42 1 0 0 0 0 99 43 1 0 0 0 0 100 44 1 0 0 0 0 101 45 1 0 0 0 0 102 49 1 0 0 0 0 103 50 1 0 0 0 0 104 52 1 0 0 0 0 105 53 1 0 0 0 0 64106 1 6 0 0 0 M END > CHEM039772 > 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[C@]([H])(COC(=O)CCC([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])CC([H])=C([H])CC > InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,13-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7+,11-8+,12-9+,19-16+,20-17+,21-18+,28-25+,29-26+,30-27+,36-33+,37-34+,43-40+,44-41+,45-42+,52-49+,53-50+/t64-/m0/s1 > WBVJLWJOUHVTNO-AQQQJILXSA-N > C67H98O6 > 999.515 > 998.736340876 > 3 > 171 > 122.95417180199323 > 0 > 0 > 0 > 0 > (2R)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 9.08 > 20.246499817666667 > -7.79 > 0 > 0 > 0 > -6.5670524658716625 > 78.9 > 332.7718999999999 > 50 > 0 > 1.63e-05 g/l > (2R)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 0 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$