HMDB0005379 RDKit 3D TG(16:0/16:1(9Z)/18:2(9Z,12Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -3.7123 -7.0208 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9521 -7.5006 2.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -6.9937 3.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5289 -7.4156 3.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6404 -6.8256 4.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 -7.1654 4.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6951 -6.2734 3.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 -4.8253 3.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1861 -4.2169 5.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 -3.2747 4.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4555 -2.6114 3.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9238 -2.7823 3.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -4.1072 3.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4593 -4.8523 2.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -5.1187 1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6855 -4.0029 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 -4.4773 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7626 -3.4497 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9001 -3.4584 -2.3067 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 -2.4866 -0.4312 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 -1.5243 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 -0.5082 -0.4191 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5759 0.4467 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4479 0.9347 -0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 1.6693 -1.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 1.9317 -2.0485 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1854 2.0684 -2.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 2.5456 -4.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 1.6308 -5.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0414 1.0915 -4.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 2.1333 -5.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4339 1.3680 -4.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 2.1431 -4.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 2.9335 -6.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3077 4.0652 -6.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 5.1430 -5.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2444 6.2558 -6.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 5.8651 -6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1351 7.0848 -7.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 6.6409 -7.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 7.7959 -8.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -1.1516 0.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6535 -1.0350 0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 -0.2122 -0.2884 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 -1.8394 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 -1.3230 2.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6735 -0.0600 2.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 0.1298 4.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9582 0.3619 5.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 1.5613 5.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 2.0953 4.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 3.3490 4.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 3.6068 4.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5902 2.6896 4.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4305 3.5065 3.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 2.7000 2.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4627 3.4666 1.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 4.1196 0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 5.2169 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8977 -7.5892 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6257 -7.2184 0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5493 -5.9181 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -8.5963 2.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 -7.0663 2.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -5.8958 3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 -7.4234 4.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 -7.0347 2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4823 -8.5118 3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 -5.7995 4.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9496 -7.4540 5.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -8.2385 4.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -6.6034 3.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 -4.4606 2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 -4.5369 4.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 -4.6096 6.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5765 -2.8920 5.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -2.8062 2.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 -1.5011 3.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2913 -2.0620 2.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 -2.3082 4.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1215 -4.8101 4.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6237 -4.0756 3.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2546 -4.4101 1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 -5.8705 2.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4671 -5.6530 1.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -5.9083 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -3.8693 -0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6564 -3.0149 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7281 -5.3484 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6923 -4.8889 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1096 -1.0457 -1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4009 -2.1027 -1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 0.1204 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1058 0.0019 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 1.3308 0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 1.1932 -2.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 2.8278 -2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 2.8215 -4.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 3.5708 -4.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4478 2.0228 -6.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 0.7188 -5.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 0.4524 -5.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 0.4002 -4.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 2.5175 -6.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 2.9060 -4.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 0.8545 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 0.5026 -5.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 1.4227 -4.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 2.7812 -3.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 2.2129 -6.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 3.2595 -5.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 3.8313 -7.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 4.6140 -7.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 5.5758 -5.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5787 4.7626 -4.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 7.0082 -5.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 6.8145 -6.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 5.1630 -7.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 5.4796 -5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 7.4911 -7.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 7.7938 -6.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 5.7873 -8.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 6.2773 -6.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 8.7274 -7.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 7.8531 -9.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 7.6594 -7.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -2.8049 1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3688 -2.2764 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8794 -1.1720 3.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 -2.1558 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5817 -0.3110 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0763 0.7239 2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5182 -0.8717 4.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 0.8271 4.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2993 -0.5830 5.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4111 0.2442 6.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 2.4171 5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4109 1.4153 6.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9168 2.4983 3.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 1.3916 3.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 4.0752 5.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 4.5606 5.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 2.5364 5.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3106 1.7176 4.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 3.8935 2.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 4.3626 3.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1808 2.3796 3.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1889 1.7612 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 4.2594 2.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3337 2.8068 1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7473 4.5117 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 3.2914 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 6.0539 0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9861 5.6672 1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 4.9184 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 0 30 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 22 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 6 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 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 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 59155 1 0 M END