Mrv1652304052022382D 84 83 0 0 1 0 999 V2000 38.2156 2.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3761 7.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2584 13.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3917 2.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7078 12.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0172 1.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6494 6.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3333 12.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1934 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4732 6.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7827 11.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8189 1.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9226 5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4082 10.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9950 1.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7465 5.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8576 9.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6205 0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1959 5.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4831 9.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0699 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0197 5.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9325 8.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6954 -1.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4691 4.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7563 8.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8715 -1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2930 4.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4222 -0.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7424 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5983 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5662 3.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2238 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0156 3.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2057 7.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6732 -1.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8395 3.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8312 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2987 -2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2889 2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2806 6.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4748 -2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1127 2.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9061 5.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0255 -1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5621 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3555 5.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3999 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3860 1.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9810 4.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9506 -0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8354 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4304 3.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1267 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6592 1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0559 2.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7522 -1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1086 0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5802 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6551 -0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2057 0.0098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.5053 2.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9284 -1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9325 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3292 2.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5539 -2.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3070 1.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1308 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4790 -0.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3819 -0.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5456 1.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.7966 0.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.1448 -1.7198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1308 9.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.4971 -1.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.1489 0.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8493 -1.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0296 7.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7481 -3.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1004 -3.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5761 -1.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.3251 0.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0296 0.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 2 0 0 0 0 29 26 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 2 0 0 0 0 35 33 1 0 0 0 0 36 27 2 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 2 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 52 1 0 0 0 0 56 53 1 0 0 0 0 57 54 1 0 0 0 0 58 55 1 0 0 0 0 59 56 1 0 0 0 0 62 60 1 0 0 0 0 62 61 1 0 0 0 0 63 57 1 0 0 0 0 64 58 1 0 0 0 0 65 59 1 0 0 0 0 66 63 2 0 0 0 0 67 64 2 0 0 0 0 68 65 2 0 0 0 0 69 60 1 0 0 0 0 69 63 1 0 0 0 0 70 61 1 0 0 0 0 70 64 1 0 0 0 0 62 71 1 6 0 0 0 71 65 1 0 0 0 0 72 16 1 0 0 0 0 73 19 1 0 0 0 0 74 25 1 0 0 0 0 75 27 1 0 0 0 0 76 28 1 0 0 0 0 77 32 1 0 0 0 0 78 34 1 0 0 0 0 79 36 1 0 0 0 0 80 40 1 0 0 0 0 81 43 1 0 0 0 0 82 49 1 0 0 0 0 83 52 1 0 0 0 0 62 84 1 6 0 0 0 M END > BMDB0103762 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,32,34,36,40,43,49,52,62H,4-15,17-18,20-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b19-16-,28-25-,34-32-,36-27-,43-40-,52-49+/t62-/m0/s1 > JVSDFWWSPIRYLP-SNNPPZGLSA-N > C65H114O6 > 991.621 > 990.861541391 > 3 > 185 > 130.49822305647444 > 0 > 0 > 0 > 0 > (2S)-2-(docosanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propyl (7Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 10.96 > 22.976579054333335 > -8.25 > 0 > 0 > 0 > -6.5670139285984925 > 78.9 > 312.4038999999999 > 58 > 0 > 5.64e-06 g/l > (2S)-2-(docosanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propyl (7Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 0 > BMDB0103762 > TG(18:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$