HMDB0054982 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/18:3(9Z,12Z,15Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -7.4768 -5.4294 -1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1693 -5.9975 -2.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1996 -4.9223 -2.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0344 -4.8941 -1.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5864 -5.9748 -0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3923 -6.6538 -1.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -6.7648 -0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 -6.2084 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6442 -7.3783 1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4932 -7.4887 1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 -6.5585 1.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 -6.0966 3.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -5.2443 3.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7553 -4.9204 4.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 -4.2509 4.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 -2.9090 4.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -1.8243 4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 -0.4914 4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6108 -0.4162 3.3582 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6766 0.6560 5.1214 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0502 1.9660 4.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3244 2.3920 3.4505 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9959 3.5043 2.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 3.7428 1.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 4.7349 0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 5.3978 1.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2404 5.1364 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1654 4.1378 -1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5704 2.8123 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3187 2.0428 -2.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5464 2.2403 -3.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 2.2625 -4.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3392 1.2056 -5.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2115 0.0634 -5.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6806 -1.2362 -5.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 -1.5461 -4.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 -0.6857 -5.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 -1.5156 -6.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -1.6943 -5.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6609 -1.1597 -4.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1533 -2.1173 -3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -1.9975 -2.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.8417 -1.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 -0.0261 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 1.2471 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 2.0287 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 3.3189 0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9607 2.4700 3.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 1.6191 3.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2008 0.5697 2.7605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5341 1.9485 3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 0.8074 3.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8241 1.1362 3.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 -0.1082 3.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0421 -0.0626 3.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9616 0.8470 3.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1359 0.5948 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1674 1.5637 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6182 1.4390 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6662 2.4300 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7130 3.3516 -1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7279 3.5942 -2.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1606 4.9722 -2.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2802 5.4032 -3.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1019 4.5555 -3.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 4.4632 -2.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9364 3.5780 -2.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5265 -4.3773 -1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3283 -6.0432 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4044 -5.5151 -0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9096 -6.8553 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4396 -6.4099 -3.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4542 -4.0850 -3.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3129 -4.0791 -2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4078 -5.4401 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 -6.7138 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 -7.0889 -2.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -7.3048 -1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2148 -5.4419 0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 -5.8145 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 -8.0974 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 -8.4037 2.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5103 -7.1202 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 -5.6442 1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -5.5234 3.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -7.0039 3.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -4.3231 2.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0964 -5.7661 2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 -4.3791 5.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7785 -5.9282 5.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3233 -4.2871 5.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8395 -5.0087 4.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4316 -2.7029 4.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -2.8750 3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -2.0308 4.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -1.9564 5.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7902 2.6854 5.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1252 1.9723 4.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 1.4564 2.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 3.3789 2.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 4.4721 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6191 6.1496 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2372 5.0645 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1229 4.1480 -0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2964 4.5833 -2.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3363 2.4682 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8516 1.0683 -2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 1.7931 -4.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9285 3.3811 -3.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 3.0597 -4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 1.3034 -6.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0979 0.3271 -4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7396 -0.0381 -6.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4397 -2.0315 -5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 -2.5904 -4.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2141 0.2720 -5.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -0.7459 -4.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -1.9353 -6.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3846 -2.3508 -6.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6272 -0.7789 -5.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 -0.2624 -4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 -2.9963 -4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 -2.7501 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2039 -0.1596 -2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 -1.2548 -1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 0.1608 -1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5308 -0.7001 -0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0617 1.8038 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1885 0.8871 0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 1.4134 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4806 2.2137 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 3.6304 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0196 3.3831 0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3391 4.1833 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 2.1339 4.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1873 2.8969 3.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3217 0.3459 2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 -0.0209 4.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 1.3232 5.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 2.0242 3.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 -0.4499 2.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 -0.9241 4.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1514 0.0581 5.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4376 -1.1139 3.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 0.6502 3.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8084 1.9314 3.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5603 -0.4392 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2052 0.6059 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0676 1.4149 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8304 2.6105 1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7975 1.4298 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0951 0.4165 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5040 2.3450 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5874 4.0806 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2601 3.5448 -3.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9415 2.8060 -2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0197 5.6964 -2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6286 5.0418 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8353 5.4831 -4.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8773 6.4514 -3.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4928 3.5284 -3.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4903 4.8322 -4.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 5.4942 -2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 3.9758 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9847 3.8448 -2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7757 3.8392 -3.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1223 2.5168 -2.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 6 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END