HMDB0099158 RDKit 3D TG(a-13:0/a-25:0/a-21:0)[rac] 188187 0 0 0 0 0 0 0 0999 V2000 -1.6277 -8.4099 -1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -7.1556 -1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7413 -7.1742 -1.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1443 -7.3178 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1596 -5.9349 -2.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6093 -5.6797 -2.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4474 -5.4110 -1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2224 -4.2788 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2794 -2.8894 -1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2602 -2.4443 -2.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4423 -0.9858 -2.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3759 -0.0360 -1.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 1.3880 -1.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6094 2.0029 -2.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 2.1226 -2.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 0.8851 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9129 1.2647 -2.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 -0.1062 -1.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 0.0684 -1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -1.2666 -1.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 -1.9608 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 -3.2587 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -3.3222 0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4093 -2.6326 2.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -1.1826 2.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -0.4061 1.2124 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5263 -0.5961 3.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3801 0.8342 3.1377 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8524 1.4392 4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 2.8438 4.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 3.5024 3.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 2.7741 2.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 4.9590 3.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 5.2590 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1841 6.6699 2.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 7.5504 1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 7.4692 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 6.4640 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 5.0612 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 4.1685 -1.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 4.5798 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1491 4.5209 -3.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 3.1315 -3.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.1975 -4.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6015 1.7971 -4.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7907 1.9986 -5.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6144 0.8482 -5.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3192 0.0434 -4.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5708 -0.7022 -3.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6142 -1.6819 -4.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 -1.6556 -3.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 -2.4785 -2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9596 1.1643 2.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 2.4470 2.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 3.1544 3.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0906 2.5148 5.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3121 4.5581 3.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 4.8283 4.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 4.3756 3.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9019 2.9400 2.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3451 2.0959 4.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6751 2.5589 4.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0971 1.6951 5.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2376 0.2384 5.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6786 -0.6170 6.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6638 -0.5320 7.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 -2.0705 6.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7170 -2.2122 4.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -8.6623 -2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -8.2216 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -9.2959 -1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9042 -6.2755 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8923 -6.9723 -3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0995 -8.0729 -2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0581 -7.9649 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 -7.9277 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 -6.4033 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6163 -5.0708 -2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 -6.0046 -3.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0676 -6.6822 -3.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8144 -5.0108 -3.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6169 -6.3413 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5122 -5.2627 -2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0608 -4.3548 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3138 -4.4091 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3379 -2.7192 -1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2568 -2.1568 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3032 -3.0113 -3.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2567 -2.5657 -1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4306 -0.9685 -3.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6824 -0.7777 -3.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6133 -0.2821 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3502 -0.2607 -0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 1.5737 -2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4467 1.9776 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7177 1.5400 -3.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0308 3.0539 -3.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 2.7282 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6975 2.7435 -3.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3864 0.2824 -3.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6595 0.2963 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 1.8206 -1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4885 1.7259 -3.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 -0.7577 -2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 -0.5389 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 0.7407 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 0.6107 -2.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9815 -1.0562 -1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -1.8921 -2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1697 -2.1081 -0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -1.2156 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8095 -3.9341 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1197 -3.7786 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 -2.9443 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 -4.4056 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4864 -2.8243 2.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8274 -3.1180 2.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0316 1.2154 2.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9475 1.1532 4.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3766 1.0654 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8908 5.4418 2.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 5.4441 4.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9106 4.9691 2.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 4.5171 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1289 6.7008 1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6344 7.1604 2.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 7.7516 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6978 8.6297 1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2753 8.5351 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 7.4548 -0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 6.8275 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 6.5360 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 4.8046 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 4.6718 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 4.2856 -0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 3.1439 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 3.8498 -3.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 5.5609 -2.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 5.2096 -3.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 4.8242 -4.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0473 2.7067 -2.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 2.4224 -4.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6856 3.5923 -5.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7217 3.8947 -4.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7512 1.3600 -3.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8331 1.1699 -5.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 2.7869 -5.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 2.5071 -6.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3604 1.2659 -6.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9904 0.1762 -6.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9673 -0.7084 -5.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1418 0.6563 -4.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1529 -0.1820 -3.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6359 -1.1541 -4.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0023 -1.9802 -5.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 -2.5537 -3.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4413 -1.0213 -2.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 -2.2686 -4.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8555 -3.5420 -2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6171 -2.4920 -1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9765 -2.0586 -1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 0.9129 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 0.3937 3.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0173 5.1280 3.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 5.0790 4.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 5.9161 4.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0146 4.3577 5.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4777 4.8673 2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7265 4.8392 3.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 2.4568 2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 2.8688 2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5902 2.0013 4.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5049 1.0724 3.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 2.4903 3.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6576 3.6118 4.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3373 1.7622 6.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0435 2.0698 6.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2537 -0.1770 5.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9268 0.1126 4.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7001 -0.2838 6.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3386 -1.5554 7.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 -0.0407 7.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 -0.0437 8.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7044 -2.3459 5.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0288 -2.7584 6.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0206 -3.2566 4.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6116 -1.5866 5.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1714 -1.9144 3.9761 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 3 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 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 2 0 31 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 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 28 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 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 65 67 1 0 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 6 81 1 0 7 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 9 87 1 0 10 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 12 93 1 0 13 94 1 0 13 95 1 0 14 96 1 0 14 97 1 0 15 98 1 0 15 99 1 0 16100 1 0 16101 1 0 17102 1 0 17103 1 0 18104 1 0 18105 1 0 19106 1 0 19107 1 0 20108 1 0 20109 1 0 21110 1 0 21111 1 0 22112 1 0 22113 1 0 23114 1 0 23115 1 0 24116 1 0 24117 1 0 28118 1 6 29119 1 0 29120 1 0 33121 1 0 33122 1 0 34123 1 0 34124 1 0 35125 1 0 35126 1 0 36127 1 0 36128 1 0 37129 1 0 37130 1 0 38131 1 0 38132 1 0 39133 1 0 39134 1 0 40135 1 0 40136 1 0 41137 1 0 41138 1 0 42139 1 0 42140 1 0 43141 1 0 43142 1 0 44143 1 0 44144 1 0 45145 1 0 45146 1 0 46147 1 0 46148 1 0 47149 1 0 47150 1 0 48151 1 0 48152 1 0 49153 1 0 50154 1 0 50155 1 0 50156 1 0 51157 1 0 51158 1 0 52159 1 0 52160 1 0 52161 1 0 53162 1 0 53163 1 0 57164 1 0 57165 1 0 58166 1 0 58167 1 0 59168 1 0 59169 1 0 60170 1 0 60171 1 0 61172 1 0 61173 1 0 62174 1 0 62175 1 0 63176 1 0 63177 1 0 64178 1 0 64179 1 0 65180 1 0 66181 1 0 66182 1 0 66183 1 0 67184 1 0 67185 1 0 68186 1 0 68187 1 0 68188 1 0 M END