HMDB0045341 RDKit 3D TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -1.7167 1.7183 -7.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 1.4019 -6.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 0.4916 -5.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1166 0.6854 -3.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8367 1.9891 -3.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0817 2.6814 -2.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4359 3.8375 -3.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 4.6669 -4.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2937 5.9746 -3.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1109 6.4307 -3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1055 5.6531 -3.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9548 6.3216 -4.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1545 6.7478 -4.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 6.6877 -3.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 5.8971 -3.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 4.8425 -2.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8409 4.1796 -1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7899 4.2350 -0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 3.1841 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 1.8085 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 0.9510 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 1.3876 1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4512 2.1060 0.8464 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 1.0102 2.7226 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8915 1.3041 3.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 0.8887 4.9658 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0129 1.0583 5.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 0.2913 5.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1367 -1.0331 5.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.7600 5.2305 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3877 -1.6307 4.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 -2.9334 3.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -3.3807 3.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 -4.6543 2.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -4.9944 2.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2071 -6.1973 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 -5.9728 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 -7.1666 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2929 -6.9540 -2.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8292 -6.7114 -2.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -7.9180 -1.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 -7.7338 -1.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 -7.5003 -3.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 -8.6149 -4.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 -8.3210 -5.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 -7.1000 -6.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 -7.3315 -6.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 1.6857 5.2528 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 1.6116 5.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 0.5001 5.8129 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 2.8843 5.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 4.0289 5.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3689 4.2867 6.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 5.2585 5.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 5.6480 6.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 5.4391 6.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8173 4.7493 5.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 5.7612 5.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2059 5.9687 4.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7881 5.1651 2.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1673 4.7198 2.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 3.5361 2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8426 2.2406 2.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 1.4530 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0485 1.0023 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 1.1349 0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0721 -0.3038 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 1.8221 -8.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 0.8204 -7.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 2.6402 -7.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 0.8066 -6.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5302 2.2971 -5.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 -0.5047 -5.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6669 -0.1062 -3.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0614 2.5687 -3.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 1.6749 -2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 2.1153 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4074 4.3027 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3245 4.8706 -5.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 4.1090 -4.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1876 6.6071 -3.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9324 7.4499 -3.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 4.6320 -4.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 5.6368 -2.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 6.4320 -5.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 7.2237 -5.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 7.7331 -2.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 6.3505 -2.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8062 6.2449 -4.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4785 4.3351 -3.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 3.2126 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 4.8294 -1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 5.2504 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9777 3.2921 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9696 1.3367 -0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2698 1.6621 -1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3398 -0.0781 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 0.7623 1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 2.4069 3.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 0.7605 3.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4479 -0.1954 4.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2052 0.7336 6.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 2.1251 5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 -1.7891 5.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -0.9467 3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8307 -3.6876 4.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 -2.8784 2.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0617 -2.5678 2.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2262 -3.5182 4.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9943 -4.4354 1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1513 -5.4746 3.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5832 -4.1366 1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4904 -5.2105 3.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 -7.1205 1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2865 -6.3552 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 -5.7179 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -5.1102 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9345 -7.3448 -0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 -8.1048 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8742 -6.1622 -2.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4814 -7.9155 -2.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 -5.8394 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -6.4135 -3.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 -8.8466 -2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3687 -8.0699 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8918 -8.5837 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 -6.8318 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 -6.5400 -3.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 -7.4297 -3.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 -9.5393 -3.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -8.7966 -4.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 -9.2168 -6.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5217 -8.2229 -5.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 -6.9020 -7.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 -6.1717 -5.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2915 -6.9451 -5.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 -8.4328 -6.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 -6.8981 -7.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 2.7543 5.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7467 3.0139 6.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2146 3.7812 4.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2234 4.8975 5.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 3.4447 6.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 4.9052 6.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 4.8506 4.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 6.1527 5.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 6.2357 7.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 5.8638 7.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 4.1660 4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 3.9926 6.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2126 6.4423 5.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 6.7927 3.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3205 5.8243 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1362 4.3393 3.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8695 5.5698 2.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6323 3.3575 1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3391 1.7022 3.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8018 2.3918 2.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 1.2553 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 0.4277 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1054 1.5611 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 1.6751 1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1231 -0.8137 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7084 -0.8901 1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9742 -0.3013 1.0959 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 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 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 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 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END