Mrv1652304052011432D 70 69 0 0 1 0 999 V2000 8.3187 -3.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5766 -5.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6485 -5.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4943 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1369 -4.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2637 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 -2.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3125 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4394 -4.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8728 -4.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0546 -4.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1646 -1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0484 -4.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 -4.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6088 -3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8455 -3.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2195 0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7844 -3.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0211 -3.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3951 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3447 -2.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0104 0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5372 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9769 1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5203 -3.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6364 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0806 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 2.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2562 -2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8563 2.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8166 -1.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0319 3.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4273 -1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9922 -1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5922 2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6029 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5525 -0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 2.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 -1.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 -1.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3281 1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -1.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0244 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 1.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.3295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2884 -0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6732 0.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 2.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 0.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4641 -0.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 -0.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4286 -0.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 0.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 0.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4823 -0.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 0.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4166 2.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0654 2.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5847 1.0593 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 22 1 0 0 0 0 25 24 2 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 30 23 1 0 0 0 0 31 29 1 0 0 0 0 32 21 1 0 0 0 0 33 30 1 0 0 0 0 34 31 2 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 32 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 1 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 52 50 1 0 0 0 0 52 51 1 0 0 0 0 53 47 1 0 0 0 0 54 48 1 0 0 0 0 55 49 1 0 0 0 0 56 53 2 0 0 0 0 57 54 2 0 0 0 0 58 55 2 0 0 0 0 59 50 1 0 0 0 0 59 53 1 0 0 0 0 60 51 1 0 0 0 0 60 54 1 0 0 0 0 52 61 1 6 0 0 0 61 55 1 0 0 0 0 62 16 1 0 0 0 0 63 19 1 0 0 0 0 64 24 1 0 0 0 0 65 25 1 0 0 0 0 66 27 1 0 0 0 0 67 28 1 0 0 0 0 68 31 1 0 0 0 0 69 34 1 0 0 0 0 52 70 1 6 0 0 0 M END > BMDB0098551 > bmdb > [H]\C(CCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC > InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,31,34,52H,4-15,17-18,20-23,26,29-30,32-33,35-51H2,1-3H3/b19-16-,25-24-,28-27-,34-31+/t52-/m0/s1 > GKCXPSGVKZSTBL-UFDAODTFSA-N > C55H98O6 > 855.383 > 854.736340876 > 3 > 159 > 111.77249509617076 > 0 > 0 > 0 > 0 > (2S)-3-(hexadecanoyloxy)-2-(tetradecanoyloxy)propyl (10Z,16Z)-docosa-7,10,13,16-tetraenoate > 10.79 > 19.254735717666666 > -8.11 > 0 > 0 > 0 > -6.565867990076221 > 78.9 > 264.16069999999996 > 50 > 0 > 6.60e-06 g/l > (2S)-3-(hexadecanoyloxy)-2-(tetradecanoyloxy)propyl (10Z,16Z)-docosa-7,10,13,16-tetraenoate > 0 > BMDB0098551 > TG(16:0/14:0/22:4(7Z,10Z,13Z,16Z)) $$$$