HMDB0109524 RDKit 3D TG(18:0/a-25:0/21:0)[rac] 203202 0 0 0 0 0 0 0 0999 V2000 -1.1470 -5.8103 -1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -5.1283 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0593 -3.6585 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 -2.8003 1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -2.9349 2.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -2.7090 1.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3507 -2.8114 3.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7302 -2.6407 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8342 -2.7262 3.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -1.8021 4.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8653 -2.0739 5.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9611 -0.9800 6.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1499 -1.0427 7.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 -1.0948 8.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -2.2949 7.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -1.9920 7.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 -3.1864 7.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 -2.8034 7.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 -3.8790 7.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 -4.5119 6.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 -3.5847 5.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 -2.3668 5.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 -4.0637 4.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1636 -3.4283 2.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 -2.7456 2.8671 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7173 -3.5876 2.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 -4.4617 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0716 -5.6070 1.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3347 -6.1331 2.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.2289 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 -5.3955 -0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2432 -5.4894 -2.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 -5.2132 -2.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3217 -5.0217 -4.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5144 -3.8094 -4.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1129 -2.4844 -4.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4662 -2.0398 -3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 -1.8243 -2.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 -0.5999 -2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -0.4855 -1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8748 0.8147 -1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8715 1.0493 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 2.4316 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6743 2.8601 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 1.9684 0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4883 2.1409 -0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 -1.6700 3.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4383 -0.3687 3.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 -0.2799 2.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3049 0.8995 4.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 1.9762 3.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 3.3350 3.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7839 4.2743 2.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2278 5.5607 2.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9937 6.6305 1.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1731 6.1595 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 7.2391 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 6.7956 -1.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 6.1753 -2.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3506 5.6707 -3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4949 4.4885 -3.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2215 3.9571 -4.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8261 2.6635 -4.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6014 1.8356 -5.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 2.1802 -5.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1927 3.3633 -6.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7245 3.1956 -7.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2035 4.2692 -7.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6333 4.1687 -8.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6765 4.1536 -7.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6476 3.0446 -6.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0297 4.0119 -7.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1881 5.1820 -8.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 -6.8110 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 -5.2095 -1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 -5.8744 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -5.5691 0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -5.4778 0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 -3.3726 -0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1726 -3.4124 -0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -1.7286 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -2.8550 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 -2.1017 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 -3.8628 2.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5399 -1.6902 1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -3.4284 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1522 -3.7161 3.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9562 -1.9265 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7881 -1.6748 1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9138 -3.4319 1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7954 -3.8162 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8440 -2.7727 2.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9100 -1.7958 5.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7773 -0.7068 4.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9018 -2.3626 5.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2646 -3.0287 6.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7618 0.0245 6.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 -0.8431 7.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5011 -0.1314 8.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5474 -1.8811 8.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 -0.1897 7.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 -0.8469 9.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 -2.4632 6.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2789 -3.1791 8.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 -1.7792 8.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1719 -1.1612 7.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -4.0253 8.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 -3.4926 6.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 -1.8705 7.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 -2.5236 8.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4886 -4.7165 8.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -3.5914 8.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 -5.3671 6.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -4.8820 6.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 -4.0462 1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -2.5369 2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5495 -2.2715 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5848 -2.9033 2.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 -4.0914 3.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9067 -7.2518 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3173 -6.1762 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 -4.3242 -0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3139 -5.5150 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 -6.5283 -2.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4454 -4.8337 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 -4.5191 -2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 -6.2110 -2.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3444 -4.8515 -4.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 -5.9176 -4.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -3.8786 -5.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4566 -3.8906 -4.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 -1.6951 -4.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0564 -2.4096 -5.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8386 -0.9121 -3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4584 -2.4087 -2.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -2.6733 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0105 -1.5727 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 -0.6391 -3.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2504 0.2792 -2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -0.4885 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8841 -1.3651 -1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 1.6136 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 0.9971 -2.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 1.0378 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 0.2902 -0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1016 2.4927 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1406 3.1988 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 2.8140 1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 3.9022 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6642 2.2991 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 0.9402 0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5844 2.1784 -0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0758 3.0973 -1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 1.2824 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4204 0.8848 4.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 1.0333 4.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3891 1.6381 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1956 1.9395 2.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 3.7615 4.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8737 3.3396 3.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 3.8137 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 4.4117 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 5.4481 3.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9812 5.9912 3.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 7.0828 1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 7.4290 2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3505 5.4911 0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8814 5.5109 -0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5604 7.8847 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0001 7.9128 0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6429 7.7286 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 6.1667 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5884 5.3862 -2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 6.9709 -2.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7011 6.4613 -4.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 5.4459 -4.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 3.6034 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 4.7166 -2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 3.7247 -5.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 4.6911 -5.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3674 2.8369 -3.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 2.0445 -4.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 1.5099 -6.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 0.7887 -4.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 1.2754 -6.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6727 2.0969 -5.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 4.3410 -6.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6627 3.2943 -7.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8497 2.1963 -7.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 3.1645 -5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0092 5.2719 -7.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5708 4.2709 -8.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7861 3.3318 -9.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8293 5.0882 -8.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7764 5.1213 -6.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3389 3.3926 -5.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1691 2.1106 -6.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7319 2.7222 -6.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9671 3.0946 -8.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8506 3.8630 -7.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6734 6.0585 -8.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8477 4.9690 -9.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2568 5.4969 -9.0303 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 1 0 7 8 1 0 8 9 1 0 9 10 1 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 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 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 1 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 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 70 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 6 86 1 0 7 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 9 92 1 0 10 93 1 0 10 94 1 0 11 95 1 0 11 96 1 0 12 97 1 0 12 98 1 0 13 99 1 0 13100 1 0 14101 1 0 14102 1 0 15103 1 0 15104 1 0 16105 1 0 16106 1 0 17107 1 0 17108 1 0 18109 1 0 18110 1 0 19111 1 0 19112 1 0 20113 1 0 20114 1 0 24115 1 0 24116 1 0 25117 1 6 26118 1 0 26119 1 0 30120 1 0 30121 1 0 31122 1 0 31123 1 0 32124 1 0 32125 1 0 33126 1 0 33127 1 0 34128 1 0 34129 1 0 35130 1 0 35131 1 0 36132 1 0 36133 1 0 37134 1 0 37135 1 0 38136 1 0 38137 1 0 39138 1 0 39139 1 0 40140 1 0 40141 1 0 41142 1 0 41143 1 0 42144 1 0 42145 1 0 43146 1 0 43147 1 0 44148 1 0 44149 1 0 45150 1 0 45151 1 0 46152 1 0 46153 1 0 46154 1 0 50155 1 0 50156 1 0 51157 1 0 51158 1 0 52159 1 0 52160 1 0 53161 1 0 53162 1 0 54163 1 0 54164 1 0 55165 1 0 55166 1 0 56167 1 0 56168 1 0 57169 1 0 57170 1 0 58171 1 0 58172 1 0 59173 1 0 59174 1 0 60175 1 0 60176 1 0 61177 1 0 61178 1 0 62179 1 0 62180 1 0 63181 1 0 63182 1 0 64183 1 0 64184 1 0 65185 1 0 65186 1 0 66187 1 0 66188 1 0 67189 1 0 67190 1 0 68191 1 0 68192 1 0 69193 1 0 69194 1 0 70195 1 0 71196 1 0 71197 1 0 71198 1 0 72199 1 0 72200 1 0 73201 1 0 73202 1 0 73203 1 0 M END