Mrv1652304202021082D 72 71 0 0 1 0 999 V2000 26.6410 -6.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6799 -6.8210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7186 -6.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6409 -5.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7574 -6.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9298 -7.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4351 -7.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7534 -6.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4679 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1824 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8969 -6.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6113 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3258 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0403 -6.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7547 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4692 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1837 -6.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8982 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6127 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3271 -6.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0416 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7561 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4705 -6.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1850 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8995 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6140 -6.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3285 -6.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0430 -6.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0430 -5.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0692 -7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7837 -8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4982 -7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2126 -8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9271 -7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6416 -8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3561 -7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0706 -8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7851 -7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4995 -8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2140 -7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9285 -8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6430 -7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3575 -8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0719 -7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7864 -8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5009 -7.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2153 -8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2153 -9.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9224 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6369 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3514 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0659 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7804 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4948 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2093 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9238 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6382 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3527 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0672 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7817 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4962 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2106 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9251 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6396 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3540 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0685 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7830 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4975 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2120 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9264 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9264 -3.9187 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 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 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 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 2 0 0 0 0 6 48 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 4 1 0 0 0 0 71 72 2 0 0 0 0 M END > BMDB0010556 > 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)CCCCCCCCCCCCCCCCC > InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,32-35,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,18,21-24,27,30-31,36-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49- > SBPDLKMUDWDEFF-KGAICMFLSA-N > C65H102O6 > 979.5018 > 978.767640996 > 3 > 173 > 120.50865471008565 > 0 > 0 > 0 > 0 > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 10.08 > 20.805049114333332 > -8.14 > 0 > 0 > 0 > -6.568162903553901 > 78.9 > 319.1034999999999 > 52 > 0 > 7.15e-06 g/l > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010556 > TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] $$$$