Mrv1652304062005112D 69 68 0 0 0 0 999 V2000 30.3256 10.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3256 10.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0401 9.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6112 9.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6112 8.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8967 8.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8967 7.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1822 7.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1822 6.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8967 5.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8967 5.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1822 4.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4677 5.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7533 4.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0388 5.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0388 5.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3243 6.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3243 7.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6099 7.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6099 8.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0401 11.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0401 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3256 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6112 12.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8967 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8967 13.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1822 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4677 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7533 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0388 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3243 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6099 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8954 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1809 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4664 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7520 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3230 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6086 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6086 11.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8941 10.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8941 10.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6086 9.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6086 8.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8941 8.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1796 8.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4651 8.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7546 12.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4690 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4690 11.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1835 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8980 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6124 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3269 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0414 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7559 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4703 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1848 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8993 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6137 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3282 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0427 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7572 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4716 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1861 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9006 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6150 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3295 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0440 12.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 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 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 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 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 22 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 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 68 1 0 0 0 0 68 69 1 0 0 0 0 M END > BMDB0106630 > bmdb > CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,40,43,60H,4-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-,43-40- > PTMJQDBEENYEHE-LLHZFHSZSA-N > C63H112O6 > 965.5598 > 964.845891316 > 3 > 181 > 127.9242579381167 > 0 > 0 > 0 > 0 > 2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate > 10.91 > 22.449363381 > -8.20 > 0 > 0 > 0 > -6.565868619786521 > 78.9 > 302.0853 > 57 > 0 > 6.05e-06 g/l > 2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate > 0 > BMDB0106630 > TG(18:3(6Z,9Z,12Z)/20:0/22:2(13Z,16Z)) $$$$