HMDB0042247 RDKit 3D TG(14:0/24:0/24:0) 197196 0 0 0 0 0 0 0 0999 V2000 1.1388 8.1095 -1.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 6.9885 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 7.2189 0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 7.4608 1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 6.2944 1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 5.0425 1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 3.8044 1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 3.6084 2.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 4.4372 2.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0244 3.8269 3.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3298 4.5335 4.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0836 3.8929 5.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4118 2.4535 5.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 2.2021 3.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5817 0.7027 3.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6155 0.3022 2.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8060 -1.1808 2.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5926 -1.9548 2.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3106 -1.6277 0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1153 -2.3513 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0611 -1.9805 -1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8956 -2.5956 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0613 -2.1822 -3.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9634 -2.6891 -4.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 -3.2101 -3.7481 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0552 -2.5820 -5.5941 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2378 -2.9061 -6.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -2.0450 -6.7712 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0885 -2.2703 -5.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 -3.5498 -5.5433 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 -4.5194 -6.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 -4.2545 -7.5238 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -5.8704 -5.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -6.1812 -4.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 -7.4846 -4.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 -7.8396 -2.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 -6.7531 -1.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5932 -7.1796 -0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 -6.2014 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 -5.6970 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1585 -6.5844 1.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -7.5894 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 -8.4670 2.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 -9.2084 3.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 -10.0408 4.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4053 -0.7200 -6.8521 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4003 0.1544 -7.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 -0.1095 -9.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9085 1.5948 -7.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4379 1.5792 -6.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9135 2.8600 -5.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4516 2.6547 -4.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 2.0187 -3.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 1.7620 -1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6707 1.0594 -1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7601 0.6476 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4423 -0.0654 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3939 -0.5269 1.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 -1.2477 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 -0.3839 1.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4215 -1.1007 2.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 -0.0972 1.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -0.7497 2.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0395 0.1632 1.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0538 1.4028 2.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2717 2.2243 2.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3597 3.5005 3.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5713 4.2845 2.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7497 5.5714 3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9089 5.3520 5.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0813 6.7064 5.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7677 8.9795 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 8.3759 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6735 7.7338 -2.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3021 6.0482 -1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 6.8750 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0664 6.4399 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 8.1684 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 7.6168 2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7309 8.3952 0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 6.5985 2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 6.1772 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4717 5.1684 2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 4.8951 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 2.9569 2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 3.5255 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 3.6194 3.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 2.5382 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9325 5.4569 3.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7011 4.4783 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 2.7525 3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4068 3.9557 4.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1265 5.5765 4.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9375 4.4530 3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0296 4.4612 5.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5025 3.9762 6.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9556 2.0353 5.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 1.8432 4.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9633 2.6184 2.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3191 2.7363 4.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9743 0.4102 4.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6503 0.1644 3.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5790 0.7354 3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4258 0.7266 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0529 -1.5471 3.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6681 -1.4476 2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8704 -3.0349 2.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7279 -1.7405 2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 -0.5145 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2228 -1.8620 0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1841 -2.0755 0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3229 -3.4468 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0145 -2.2539 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9278 -0.8782 -1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7804 -3.6687 -1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9793 -2.0848 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0536 -2.4496 -3.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0191 -1.0663 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 -3.9881 -6.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 -2.8135 -7.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 -2.2931 -7.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -1.7248 -4.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -1.6438 -6.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -6.6168 -6.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 -5.8980 -5.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 -6.2542 -5.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4247 -5.3768 -3.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 -7.5267 -3.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6356 -8.3042 -4.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 -8.0496 -3.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0136 -8.7889 -2.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4448 -6.5659 -1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8561 -5.8119 -2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 -8.2342 -0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 -7.1743 -1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -5.3293 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7657 -6.6563 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 -4.9443 1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 -5.0808 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 -5.9006 2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -7.0435 2.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2873 -8.2366 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 -7.0185 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 -9.2263 1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1895 -7.9242 2.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 -8.5963 3.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1414 -9.9382 2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 -9.4938 4.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 -10.9803 3.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7491 -10.2455 5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0922 2.2981 -7.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6773 1.8148 -8.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2515 0.7935 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 1.0860 -5.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7849 3.2147 -6.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 3.6579 -5.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3552 2.0353 -4.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 3.6478 -3.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2692 0.9604 -3.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4447 2.4873 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0617 2.7412 -1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7448 1.1145 -1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 1.7263 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 0.1310 -1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0177 1.4413 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -0.1453 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 0.5284 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 -0.9835 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 -1.2376 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 0.3305 2.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9578 -2.0978 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 -1.7409 3.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 0.4077 2.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 0.1502 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 -1.4475 3.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 -1.9623 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 0.2238 0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4253 0.7446 2.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9047 -1.2016 3.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 -1.5826 1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1395 0.4239 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9703 -0.4196 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1662 2.0483 2.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0871 1.2027 3.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1503 2.5433 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2048 1.6513 2.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4278 4.0616 3.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 3.1761 4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4865 3.6911 2.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4186 4.5680 1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9433 6.2923 3.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6861 6.0359 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 4.8545 5.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8154 4.7546 5.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 7.5037 5.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 6.9930 5.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5877 6.7159 6.6907 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 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 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 28 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 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 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 6 84 1 0 7 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 9 90 1 0 10 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 12 96 1 0 13 97 1 0 13 98 1 0 14 99 1 0 14100 1 0 15101 1 0 15102 1 0 16103 1 0 16104 1 0 17105 1 0 17106 1 0 18107 1 0 18108 1 0 19109 1 0 19110 1 0 20111 1 0 20112 1 0 21113 1 0 21114 1 0 22115 1 0 22116 1 0 23117 1 0 23118 1 0 27119 1 0 27120 1 0 28121 1 6 29122 1 0 29123 1 0 33124 1 0 33125 1 0 34126 1 0 34127 1 0 35128 1 0 35129 1 0 36130 1 0 36131 1 0 37132 1 0 37133 1 0 38134 1 0 38135 1 0 39136 1 0 39137 1 0 40138 1 0 40139 1 0 41140 1 0 41141 1 0 42142 1 0 42143 1 0 43144 1 0 43145 1 0 44146 1 0 44147 1 0 45148 1 0 45149 1 0 45150 1 0 49151 1 0 49152 1 0 50153 1 0 50154 1 0 51155 1 0 51156 1 0 52157 1 0 52158 1 0 53159 1 0 53160 1 0 54161 1 0 54162 1 0 55163 1 0 55164 1 0 56165 1 0 56166 1 0 57167 1 0 57168 1 0 58169 1 0 58170 1 0 59171 1 0 59172 1 0 60173 1 0 60174 1 0 61175 1 0 61176 1 0 62177 1 0 62178 1 0 63179 1 0 63180 1 0 64181 1 0 64182 1 0 65183 1 0 65184 1 0 66185 1 0 66186 1 0 67187 1 0 67188 1 0 68189 1 0 68190 1 0 69191 1 0 69192 1 0 70193 1 0 70194 1 0 71195 1 0 71196 1 0 71197 1 0 M END