Mrv0541 02241201062D 76 75 0 0 1 0 999 V2000 27.0437 -6.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0826 -7.3710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.1214 -6.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0436 -5.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1601 -7.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3325 -8.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8378 -8.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4416 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1561 -6.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8706 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5851 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2996 -6.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0140 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7285 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4430 -6.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1574 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8719 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5864 -6.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3009 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0154 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7298 -6.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4443 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1588 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8732 -6.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5877 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3022 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0167 -6.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7312 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4457 -6.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4457 -6.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3285 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0429 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7575 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4719 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1864 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9009 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6153 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3298 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0443 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7588 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4733 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1878 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9022 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6167 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3312 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0456 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7601 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4746 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1891 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9036 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6180 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6180 -9.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3251 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0396 -5.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7541 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4686 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1831 -5.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8975 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6120 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3265 -5.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0409 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7554 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4699 -5.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1844 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8989 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6133 -5.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3278 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0423 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7567 -5.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4712 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1857 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9002 -5.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6147 -5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3291 -5.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3291 -4.4687 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 2 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 2 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 51 1 0 0 0 0 51 52 1 0 0 0 0 52 6 1 0 0 0 0 52 53 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 4 1 0 0 0 0 75 76 2 0 0 0 0 M END > BMDB0010561 > bmdb > [H]C(COC(=O)CC\C=C/C\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)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/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-RHTABANYSA-N > C69H100O6 > 1025.5287 > 1024.751990932 > 3 > 122.02201413585563 > 0 > 0 > 0 > 0 > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (4Z,7Z,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 > 343.0904999999998 > 51 > 0 > 1.76e-05 g/l > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010561 > 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] $$$$