HMDB0048727 RDKit 3D TG(16:1(9Z)/24:1(15Z)/24:1(15Z)) 197196 0 0 0 0 0 0 0 0999 V2000 -2.9731 8.7723 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8114 8.0018 -0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3984 8.2240 -2.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0367 7.9156 -2.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5116 6.5337 -2.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 5.8075 -1.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 4.4782 -1.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2532 4.0876 -0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9162 4.9876 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 4.3254 1.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5825 5.3218 2.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7686 4.7786 3.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 4.2925 4.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4282 3.7464 5.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9968 3.1841 5.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1683 2.0587 4.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1019 1.5392 4.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 1.5183 4.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 0.4427 3.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5876 -0.1256 3.1202 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2635 -0.9232 4.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2538 -1.8145 4.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -2.7159 5.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7282 -2.7284 6.1068 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -3.6143 6.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 -4.9267 5.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4861 -5.8920 6.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0756 -5.4349 5.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 -5.1211 4.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -4.6856 4.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -4.3819 3.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3992 -3.3384 2.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 -3.6488 1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -2.4953 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 -2.5193 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 -2.7230 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8533 -4.0559 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -3.9709 0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1752 -4.7438 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7944 -5.8127 -0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4569 -5.4806 -2.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -6.4848 -3.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 -6.6439 -3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1683 -5.3231 -4.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -5.3960 -4.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 -5.8159 -3.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 -5.8728 -3.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3565 0.8678 2.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 0.9240 1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 0.0542 0.4794 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1314 1.8985 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8059 1.9040 -1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1207 0.6351 -1.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7412 0.6699 -3.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2466 0.8844 -3.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0038 0.9279 -5.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 1.1082 -5.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 -0.0453 -5.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 0.0938 -5.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 -1.1641 -5.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 -1.1663 -5.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -0.1338 -5.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2518 -0.2398 -3.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 0.8337 -3.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 1.6966 -2.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 1.7882 -1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8369 1.5905 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9427 1.6339 0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 1.3733 2.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8194 2.4140 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 2.2681 3.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3829 1.0476 3.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6462 -0.2443 4.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 8.4265 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1706 9.8639 0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 8.6201 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0357 7.0151 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8389 8.5406 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 7.6340 -2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6722 9.2906 -2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 8.5523 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 8.2910 -3.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0638 5.9268 -3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 6.5176 -3.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5663 5.5167 -1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1793 6.4382 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 3.7666 -2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 3.0986 -1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 5.9846 0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0235 4.9939 -0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3638 3.3438 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 4.2747 1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 6.2331 2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 5.6503 1.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 5.6563 4.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5775 4.0441 3.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2529 5.1797 4.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 3.5231 3.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 2.9385 5.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 4.5373 6.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7474 3.9525 5.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 2.8575 6.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 0.8239 2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -0.3219 4.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -0.8747 2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6956 -0.3220 4.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0814 -1.5589 3.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5704 -3.7148 7.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -3.1055 6.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 -5.3903 5.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -4.7822 4.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5603 -6.8793 5.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7082 -6.1268 7.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0864 -4.4982 6.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5764 -6.2703 6.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1858 -5.9885 3.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 -4.2813 4.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3338 -5.5270 5.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -3.7952 5.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7409 -4.1993 3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -5.4035 2.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0784 -2.4092 3.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2863 -3.0725 1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -3.7584 2.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -4.5863 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -2.3808 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0079 -1.5399 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 -3.2380 -1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 -1.5240 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9421 -2.6001 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 -1.9238 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -4.4496 1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5544 -4.7768 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7589 -3.2054 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2813 -4.6229 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3907 -6.7272 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7528 -6.0543 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -4.4398 -2.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -5.5167 -2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7068 -6.1468 -4.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6289 -7.4748 -3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6682 -7.3727 -4.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 -7.0387 -2.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7934 -4.9168 -5.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 -4.6081 -3.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 -4.4100 -4.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5995 -6.1125 -5.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 -5.1243 -2.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -6.8473 -3.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 -4.9994 -4.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -6.8219 -4.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1718 -5.8491 -2.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0782 2.9227 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2266 1.6202 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4213 2.7213 -1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 2.2010 -1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7903 -0.2662 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2563 0.5563 -1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3214 1.4572 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0364 -0.3170 -3.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 1.9040 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6412 0.1757 -2.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4411 -0.0236 -5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5974 1.7813 -5.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5289 1.1764 -6.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 2.0582 -5.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6696 0.0045 -3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 -1.0130 -5.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6521 0.1546 -6.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 0.9691 -5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4502 -1.2125 -4.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 -2.0202 -5.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -2.1735 -5.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7657 -1.1500 -6.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 -0.2320 -5.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 0.8965 -5.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -1.2152 -3.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3439 -0.1652 -3.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0861 0.8787 -4.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9569 2.4577 -2.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 2.8372 -1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3413 1.0174 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5396 2.4755 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4207 0.6686 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5233 2.6618 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 0.9298 0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2748 0.3785 2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1076 1.3676 3.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5270 2.4399 1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 3.4366 2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 2.4241 4.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 3.1522 3.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 0.8759 3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0347 1.1728 4.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5922 -0.1139 4.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 -0.9504 3.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 -0.8480 4.8760 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 2 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 2 0 16 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 2 0 23 25 1 0 25 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 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 2 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 20 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 2 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 71 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 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 19103 1 0 19104 1 0 20105 1 6 21106 1 0 21107 1 0 25108 1 0 25109 1 0 26110 1 0 26111 1 0 27112 1 0 27113 1 0 28114 1 0 28115 1 0 29116 1 0 29117 1 0 30118 1 0 30119 1 0 31120 1 0 31121 1 0 32122 1 0 32123 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 39135 1 0 40136 1 0 40137 1 0 41138 1 0 41139 1 0 42140 1 0 42141 1 0 43142 1 0 43143 1 0 44144 1 0 44145 1 0 45146 1 0 45147 1 0 46148 1 0 46149 1 0 47150 1 0 47151 1 0 47152 1 0 51153 1 0 51154 1 0 52155 1 0 52156 1 0 53157 1 0 53158 1 0 54159 1 0 54160 1 0 55161 1 0 55162 1 0 56163 1 0 56164 1 0 57165 1 0 57166 1 0 58167 1 0 58168 1 0 59169 1 0 59170 1 0 60171 1 0 60172 1 0 61173 1 0 61174 1 0 62175 1 0 62176 1 0 63177 1 0 63178 1 0 64179 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 70189 1 0 70190 1 0 71191 1 0 71192 1 0 72193 1 0 72194 1 0 73195 1 0 73196 1 0 73197 1 0 M END