Mrv1652304062004412D 90 89 0 0 1 0 999 V2000 4.4383 9.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8473 -6.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1233 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0859 8.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -5.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3011 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 8.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 -5.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9487 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 8.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 -5.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1265 0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3812 7.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 -5.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7742 1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -5.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2440 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 5.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 -5.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8916 2.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 5.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 -4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0694 2.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7907 5.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -4.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7170 3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4383 4.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -4.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6161 4.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 5.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -3.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 5.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8948 3.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 4.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2034 -2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 4.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7335 -1.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6028 2.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7971 3.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 2.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2669 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -2.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3108 2.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 2.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 -2.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8409 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 2.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2669 -2.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0187 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2066 1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4447 -2.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5489 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0251 -1.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1426 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 -0.1938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7267 1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8473 -1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3743 1.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 0.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1997 -2.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2568 0.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3172 -0.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 9.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 7.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2066 6.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6193 -6.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0662 1.8407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 5.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 -6.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3615 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6129 5.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4383 -5.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1869 4.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 3.8751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 -3.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 4.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 5.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5425 4.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0256 -2.5673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 4.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0859 -1.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0251 3.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 0.5522 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 2 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 2 0 0 0 0 21 18 2 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 2 0 0 0 0 30 28 1 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 33 31 2 0 0 0 0 34 27 2 0 0 0 0 35 33 1 0 0 0 0 36 32 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 2 0 0 0 0 40 37 1 0 0 0 0 41 38 2 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 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 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 60 58 1 0 0 0 0 60 59 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 57 1 0 0 0 0 64 61 2 0 0 0 0 65 62 2 0 0 0 0 66 63 2 0 0 0 0 67 58 1 0 0 0 0 67 61 1 0 0 0 0 68 59 1 0 0 0 0 68 62 1 0 0 0 0 60 69 1 6 0 0 0 69 63 1 0 0 0 0 70 7 1 0 0 0 0 71 10 1 0 0 0 0 72 16 1 0 0 0 0 73 17 1 0 0 0 0 74 18 1 0 0 0 0 75 19 1 0 0 0 0 76 20 1 0 0 0 0 77 21 1 0 0 0 0 78 25 1 0 0 0 0 79 26 1 0 0 0 0 80 27 1 0 0 0 0 81 28 1 0 0 0 0 82 29 1 0 0 0 0 83 31 1 0 0 0 0 84 33 1 0 0 0 0 85 34 1 0 0 0 0 86 36 1 0 0 0 0 87 38 1 0 0 0 0 88 39 1 0 0 0 0 89 41 1 0 0 0 0 60 90 1 6 0 0 0 M END > BMDB0106412 > bmdb > [H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C63H102O6/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/h7,10,16-21,25-29,31,33-34,36,38-39,41,60H,4-6,8-9,11-15,22-24,30,32,35,37,40,42-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31+,34-27-,39-36-,41-38-/t60-/m0/s1 > WFZRDLLUISIIIZ-JOBAHIGXSA-N > C63H102O6 > 955.503 > 954.767641004 > 3 > 171 > 121.30150289360793 > 0 > 0 > 0 > 0 > (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (7Z,13Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 10.29 > 20.63975509766667 > -8.29 > 0 > 0 > 0 > -6.565867990091635 > 78.9 > 307.66829999999993 > 52 > 0 > 4.95e-06 g/l > (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (7Z,13Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > BMDB0106412 > TG(18:2(9Z,12Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$