Mrv1572004261618162D 100 99 0 0 1 0 999 V2000 6.5921 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9842 -9.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 -7.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9842 -9.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2697 -8.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 -7.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2697 -7.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5552 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5552 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1644 -6.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8408 -6.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1644 -5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8408 -5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1263 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4118 -5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6974 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6974 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5921 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 2.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9829 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 2.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9829 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 2.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 2.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8395 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2671 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 -2.4454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6961 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 -3.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -3.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -1.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 -1.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -6.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 -8.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 -6.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2697 -6.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8789 -6.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1263 -6.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 0.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 -5.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1263 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 1.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1644 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4118 -6.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 0.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -4.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4118 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 3.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 1.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5921 -2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 2.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 0.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -2.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 -3.2704 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 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 27 2 0 0 0 0 31 28 1 0 0 0 0 32 31 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 32 2 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 38 34 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 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 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 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 62 71 1 6 0 0 0 71 65 1 0 0 0 0 72 7 1 0 0 0 0 73 10 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 30 1 0 0 0 0 86 32 1 0 0 0 0 87 35 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 40 1 0 0 0 0 92 41 1 0 0 0 0 93 43 1 0 0 0 0 94 45 1 0 0 0 0 95 47 1 0 0 0 0 96 48 1 0 0 0 0 97 49 1 0 0 0 0 98 50 1 0 0 0 0 99 52 1 0 0 0 0 62100 1 6 0 0 0 M END > CHEM039751 > 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])CC([H])=C([H])CCC(=O)OC[C@@]([H])(COC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)OC(=O)CCCC([H])=C([H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,32,35-36,38-41,43,45,47-50,52,62H,4-6,8-9,11-15,22-24,31,33-34,37,42,44,46,51,53-61H2,1-3H3/b10-7+,19-16+,20-17+,21-18+,28-25+,29-26+,30-27+,35-32+,39-36+,41-38+,43-40+,48-45+,50-47+,52-49+/t62-/m1/s1 > BOXFBDURIZMSKQ-ALZYYTJLSA-N > C65H98O6 > 975.493 > 974.736340876 > 3 > 169 > 119.59249278354068 > 0 > 0 > 0 > 0 > (2R)-2,3-bis[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 9.34 > 20.081205801000003 > -8.03 > 0 > 0 > 0 > -6.5670921676013885 > 78.9 > 321.33669999999995 > 50 > 0 > 9.20e-06 g/l > (2R)-2,3-bis[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 0 > TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] $$$$