HMDB0044141 RDKit 3D TG(16:0/20:1(11Z)/24:0) 189188 0 0 0 0 0 0 0 0999 V2000 1.3807 -1.8623 5.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5933 -3.1586 6.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 -3.5467 6.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6906 -3.6944 4.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -4.7255 3.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -4.7785 2.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -5.8339 1.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 -5.8969 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 -6.9711 -0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2621 -6.8736 -1.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 -5.6327 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0806 -5.7552 -3.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0497 -4.6581 -4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4164 -3.2726 -4.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3271 -2.3833 -5.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6142 -0.9332 -5.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6434 -0.3213 -4.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8797 1.1617 -4.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 1.6963 -3.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 3.1481 -2.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8922 3.7707 -3.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1832 3.7922 -1.8761 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 5.1374 -1.6156 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9704 5.8682 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 5.5872 -2.7519 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4367 4.3520 -2.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2198 3.5391 -1.8412 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3223 3.8510 -3.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 3.7848 -3.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1377 5.1853 -2.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 6.0677 -4.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3062 5.4831 -5.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 5.4609 -4.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6611 4.8016 -5.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0146 4.7890 -4.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0936 4.1466 -3.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6902 2.7284 -3.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5361 1.8446 -4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1521 0.3982 -3.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7160 0.1308 -4.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3728 0.4528 -5.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 0.1456 -5.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8217 5.2733 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 4.5819 0.6684 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0022 4.4776 2.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8994 5.0457 2.7054 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9774 3.6813 2.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 3.7662 4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 2.8901 4.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 2.8859 6.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 2.0156 6.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6131 0.5403 6.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -0.2039 6.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7777 -1.6990 6.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1888 -2.3050 5.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8758 -1.9615 4.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 -2.7038 3.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6596 -2.3818 2.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2067 -0.9822 1.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6824 -0.9169 1.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9926 -1.9441 1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5312 -2.0354 1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2978 -0.8231 0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7371 -1.2070 1.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7423 -0.1374 1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0986 -0.7049 1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2182 0.2443 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5093 -0.4465 1.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 -1.7034 0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -2.0365 4.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -1.3582 5.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 -1.1696 5.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 -3.9318 5.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -3.0299 7.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2371 -4.4395 6.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5683 -2.6654 6.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 -2.6938 4.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7348 -4.0741 4.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9832 -4.5702 3.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 -5.7181 4.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9066 -4.9267 2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 -3.7660 2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3947 -6.8254 2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2301 -5.7150 1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 -4.9076 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 -6.1889 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 -7.9833 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -7.7960 -2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -4.7326 -1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 -5.5951 -2.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1551 -5.8968 -3.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8348 -6.7265 -4.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7706 -4.8691 -5.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0585 -4.6158 -5.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 -3.3357 -3.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8204 -2.8930 -3.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 -2.4956 -5.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0602 -2.8291 -6.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 -0.7534 -4.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4935 -0.3971 -6.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7724 -0.8162 -3.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.5238 -4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 1.6441 -5.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 1.3762 -3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8701 1.6174 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7048 1.0899 -2.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0245 5.6366 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3778 5.6374 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 6.9736 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0111 2.8672 -4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 4.5740 -4.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 3.1924 -2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 3.2976 -4.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 5.6165 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0344 5.1516 -2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3156 6.3028 -4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7082 7.0410 -3.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0009 4.5239 -5.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3943 6.2228 -5.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9396 6.5096 -4.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6226 4.9355 -3.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 3.8157 -5.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7303 5.4576 -6.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3266 5.8586 -4.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6977 4.2602 -5.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4864 4.7718 -2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1351 4.2513 -2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5954 2.5789 -3.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8266 2.4111 -2.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4227 2.1126 -5.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5940 1.9504 -3.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8032 -0.1873 -4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3069 0.0824 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -0.9619 -4.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0352 0.6528 -3.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9772 -0.2498 -6.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5990 1.4925 -5.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3446 0.6207 -4.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4906 0.5558 -6.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7618 -0.9495 -5.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 4.9227 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 6.3564 0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 4.0380 2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 2.6023 2.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 4.8035 4.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8466 3.4823 4.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 3.1428 3.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 1.8330 4.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9155 3.9135 6.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 2.5969 6.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 2.4251 5.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2349 2.1083 7.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9724 0.1524 6.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1196 0.3347 5.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 -0.0051 7.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6789 0.2168 5.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 -2.0199 6.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 -2.0819 5.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1792 -3.3963 6.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -1.8529 6.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9263 -2.3743 4.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -0.9141 4.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4311 -3.8084 3.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1268 -2.6373 3.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7946 -2.3259 2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4176 -3.1586 1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7214 -0.2379 2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 -0.7977 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3465 -0.9447 2.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 0.0980 1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 -1.7976 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 -2.9442 1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2463 -2.4246 2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 -2.8711 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 -0.6386 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 0.0815 1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -1.5910 2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -2.0764 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 0.1231 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 0.7188 1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3082 -1.6399 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0382 -0.9412 2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1178 1.2231 1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 0.3678 0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 -0.6959 2.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3744 0.2702 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4044 -1.7028 -0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4561 -2.6396 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9136 -1.8274 0.7887 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 23 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 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 18103 1 0 18104 1 0 19105 1 0 19106 1 0 23107 1 6 24108 1 0 24109 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 42140 1 0 43141 1 0 43142 1 0 47143 1 0 47144 1 0 48145 1 0 48146 1 0 49147 1 0 49148 1 0 50149 1 0 50150 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