Mrv0541 02241201022D 68 67 0 0 1 0 999 V2000 25.5017 -5.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5406 -5.7700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5793 -5.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5016 -4.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6181 -5.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7905 -6.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2958 -6.8938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7575 -5.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4720 -5.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1865 -5.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9009 -5.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6154 -5.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3299 -5.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0444 -5.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7589 -5.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4734 -5.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1878 -5.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9023 -5.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6168 -5.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3313 -5.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0458 -5.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7602 -5.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4747 -5.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1892 -5.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9036 -5.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9036 -4.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9299 -7.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6444 -6.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3589 -7.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0733 -7.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7878 -6.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5023 -7.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2168 -7.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9313 -6.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6457 -7.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3602 -7.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0747 -6.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7891 -7.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5037 -6.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2181 -7.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9326 -6.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6471 -7.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3615 -6.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0760 -7.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0760 -8.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7831 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4976 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2120 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9266 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6410 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3555 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0700 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7844 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4989 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2134 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9278 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6424 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3568 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0713 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7858 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5003 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2147 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9292 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6437 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3582 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0727 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7871 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7871 -2.8677 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 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 2 0 0 0 0 5 25 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 2 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 2 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 2 0 0 0 0 6 44 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 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 1 0 0 0 0 67 4 1 0 0 0 0 67 68 2 0 0 0 0 M END > BMDB0010512 > bmdb > [H][C@@](COC(=O)CCCCCCC\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)CCCCCCC\C=C/C\C=C/C\C=C/CC > InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-33,36,39,45,48,58H,4-6,13-15,22-24,29,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,48-45-/t58-/m1/s1 > LYZUIZCXALADNB-MIPFLWRGSA-N > C61H94O6 > 923.3955 > 922.70504074 > 3 > 113.77373388000967 > 0 > 0 > 0 > 0 > (2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.43 > 19.02677445433333 > -8.04 > 0 > 0 > 0 > -6.567013928598514 > 78.9 > 300.69949999999994 > 48 > 0 > 8.42e-06 g/l > (2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010512 > TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] $$$$