HMDB0046361 RDKit 3D TG(22:0/20:0/18:1(9Z)) 189188 0 0 0 0 0 0 0 0999 V2000 8.2814 -0.7011 4.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1978 0.1467 3.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 0.6301 5.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1585 1.4594 4.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 2.6228 3.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 3.6871 3.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 3.5990 2.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 2.9956 2.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 1.6358 2.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 0.8143 1.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0925 1.2217 0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4134 1.0460 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 1.4762 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6064 1.3639 -0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3272 1.7949 -1.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8388 1.7658 -1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2907 0.4263 -1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1422 -0.5987 -2.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0324 -0.1667 -3.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1264 -1.9380 -1.8638 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0372 -2.8847 -2.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8947 -4.2871 -2.3099 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9425 -4.5334 -1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1783 -3.7454 -0.2641 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1237 -2.9892 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0059 -2.9076 1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2866 -2.2457 1.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1194 -1.8153 2.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2499 -0.7939 3.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5159 0.6447 2.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6468 1.4792 3.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8389 2.9246 3.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4264 3.6937 2.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 3.7374 2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 4.5819 1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0628 4.7281 1.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 5.5505 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1774 5.6552 -0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 6.4282 -1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 6.5325 -1.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 5.2137 -1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0304 5.3659 -1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 6.0820 -2.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 5.3477 -3.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 3.9666 -3.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 4.0764 -3.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0154 2.6931 -3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -4.3284 -1.7351 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -5.2497 -2.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1132 -6.0004 -3.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 -5.4475 -1.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 -6.6184 -2.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 -7.0251 -2.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2159 -7.4291 -1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4519 -8.5530 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 -9.2406 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -8.6643 2.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0993 -7.8729 2.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1004 -6.4357 2.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 -5.7033 2.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 -4.2613 2.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 -3.5705 1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 -3.8689 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8154 -3.0586 -0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -3.2395 -1.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9124 -2.4752 -2.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 -0.9894 -2.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -0.3253 -4.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1994 1.1605 -3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4947 -0.2002 5.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2035 -0.7274 4.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9075 -1.7327 4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7635 0.9829 3.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6753 -0.4891 3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 1.3478 5.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 -0.1682 5.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 1.6423 5.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7332 0.7773 3.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 2.2803 2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4533 3.1258 4.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 4.5204 2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 4.2698 4.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 4.7166 1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3334 3.2151 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 3.4575 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 3.5722 3.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5437 1.1821 3.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4216 -0.2375 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 2.2229 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 0.4386 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -0.0393 0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8873 1.5883 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7582 0.8527 -1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8569 2.5340 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9981 1.9488 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 0.2748 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 1.0768 -2.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 2.8102 -2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1012 2.4999 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 2.0277 -2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3825 0.4918 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8118 0.0620 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8725 -2.8425 -3.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1144 -2.6898 -3.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9434 -5.0088 -3.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7716 -5.6506 -0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9298 -4.6591 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2219 -2.9047 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5585 -1.4421 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1794 -1.6344 3.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8674 -2.7760 3.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -0.7773 4.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -0.9514 3.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5486 0.9252 3.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1384 0.8717 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 1.0556 4.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5942 1.2399 3.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9682 3.1092 3.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3628 3.3959 4.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7595 4.7502 2.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8572 3.3399 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 2.7471 2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5617 4.2296 3.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9581 5.6180 1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0146 4.2598 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 5.3075 1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 3.7826 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 6.5527 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1001 5.0831 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 4.6231 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 6.1281 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 5.9238 -2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 7.4631 -1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 7.2023 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 7.0890 -0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 4.5900 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2317 4.6344 -0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 5.9961 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 4.4015 -1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6779 6.2772 -2.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 7.0790 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6113 5.9388 -4.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2004 5.2007 -3.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7175 3.4873 -4.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 3.3746 -2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7534 4.5894 -2.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8262 4.6194 -4.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 2.1018 -2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0658 2.7074 -3.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9213 2.1762 -4.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -4.4963 -2.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 -5.4860 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -7.5285 -2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8841 -6.3922 -3.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8153 -7.9648 -3.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -6.2988 -2.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2576 -7.8247 -1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 -6.5673 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 -9.3530 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6427 -8.2433 -0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8468 -9.8674 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 -10.0892 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4183 -9.5202 2.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1389 -8.1389 1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 -7.8628 3.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 -8.4412 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -6.0943 2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 -6.3528 1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0533 -6.2396 2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 -5.9381 3.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3512 -3.7972 3.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 -3.9375 3.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 -2.4815 1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 -3.7949 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7485 -4.9279 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -3.6001 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8276 -3.2792 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 -1.9835 -0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6233 -4.3039 -1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 -2.9286 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -2.7175 -3.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 -2.8445 -3.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0284 -0.5619 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8252 -0.6655 -2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 -0.5896 -4.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0779 -0.6784 -4.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 1.6492 -4.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8618 1.6079 -4.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 1.4923 -3.0161 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 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 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 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 6 82 1 0 7 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 21103 1 0 21104 1 0 22105 1 6 23106 1 0 23107 1 0 27108 1 0 27109 1 0 28110 1 0 28111 1 0 29112 1 0 29113 1 0 30114 1 0 30115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 36127 1 0 37128 1 0 37129 1 0 38130 1 0 38131 1 0 39132 1 0 39133 1 0 40134 1 0 40135 1 0 41136 1 0 41137 1 0 42138 1 0 42139 1 0 43140 1 0 43141 1 0 44142 1 0 44143 1 0 45144 1 0 45145 1 0 46146 1 0 46147 1 0 47148 1 0 47149 1 0 47150 1 0 51151 1 0 51152 1 0 52153 1 0 52154 1 0 53155 1 0 53156 1 0 54157 1 0 54158 1 0 55159 1 0 55160 1 0 56161 1 0 56162 1 0 57163 1 0 57164 1 0 58165 1 0 58166 1 0 59167 1 0 59168 1 0 60169 1 0 60170 1 0 61171 1 0 61172 1 0 62173 1 0 62174 1 0 63175 1 0 63176 1 0 64177 1 0 64178 1 0 65179 1 0 65180 1 0 66181 1 0 66182 1 0 67183 1 0 67184 1 0 68185 1 0 68186 1 0 69187 1 0 69188 1 0 69189 1 0 M END