Mrv0541 02241201052D 74 73 0 0 1 0 999 V2000 28.0847 -5.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1236 -6.0843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.1624 -5.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0847 -4.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2012 -6.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3736 -7.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8789 -7.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4827 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 -6.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9116 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6262 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3406 -6.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0551 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7696 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4840 -6.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1985 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9130 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6274 -6.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3420 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0564 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7709 -6.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4854 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1998 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9143 -6.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6288 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3433 -6.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0578 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7722 -6.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4867 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4867 -4.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0841 -7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7985 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5130 -7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2275 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9419 -7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6564 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3709 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0854 -7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7999 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5143 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2288 -7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9433 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6578 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3722 -7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0868 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8012 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5157 -7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2302 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9446 -7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6591 -7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6591 -8.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3662 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0806 -4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7951 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5096 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2241 -4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9386 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6531 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3675 -4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0820 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7965 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5109 -4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2255 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9399 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6544 -4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3689 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0833 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7978 -4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5123 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2268 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9413 -4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6557 -4.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3702 -4.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3702 -3.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 2 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 5 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 6 1 0 0 0 0 50 51 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 4 1 0 0 0 0 73 74 2 0 0 0 0 M END > BMDB0010551 > bmdb > [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C67H100O6/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/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,49-50,52-53,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-48,51,54-63H2,1-3H3/b10-7-,11-8-,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 > ARFDSUJAMZJBLH-ZQAPCKRGSA-N > C67H100O6 > 1001.5073 > 1000.751990932 > 3 > 123.08049420919613 > 0 > 0 > 0 > 0 > (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.26 > 20.608421474333333 > -7.98 > 0 > 0 > 0 > -6.5670524658716625 > 78.9 > 331.65529999999984 > 51 > 0 > 1.06e-05 g/l > (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010551 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$