HMDB0052052 RDKit 3D TG(24:1(15Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 185184 0 0 0 0 0 0 0 0999 V2000 -0.0096 -1.6443 -13.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5955 -2.6881 -12.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8434 -2.1746 -11.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -3.2747 -10.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6127 -2.8543 -10.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9628 -4.0150 -9.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0269 -4.0386 -7.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7361 -2.8150 -7.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9611 -2.5856 -6.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 -2.5753 -5.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -2.7850 -4.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5227 -1.5771 -3.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3837 -1.6311 -2.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3521 -2.9235 -1.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4204 -2.9900 -0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1887 -3.1634 0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8567 -3.3095 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7506 -4.6754 2.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 -4.8740 2.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 -3.8099 3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 -3.7869 4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 -2.6130 5.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8547 -2.1433 5.6681 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 -1.9049 5.8049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -0.7880 6.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 0.1084 7.0291 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3428 1.4104 7.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 1.5938 6.3402 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4426 2.5363 6.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 3.4045 6.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2937 2.5954 4.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.5952 3.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 1.5110 2.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 0.4737 1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 0.8186 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 -0.2896 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -1.4942 1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 -1.0242 2.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3927 -0.6177 1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 -1.7228 0.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -1.0182 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1434 -0.9132 -1.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8201 -0.4698 -1.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7287 -0.3811 -3.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -1.2549 -4.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2361 -2.3216 -3.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 -2.3660 -3.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -3.5556 -2.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7489 -4.8676 -3.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 -6.0004 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 -6.1371 -2.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 -6.4187 -3.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 -6.5534 -3.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 0.6706 5.8835 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2201 0.7988 5.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 0.4049 6.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 1.4059 4.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8721 2.2802 3.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4165 2.9568 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 3.8341 2.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 4.9301 2.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8585 5.7653 2.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 6.9089 3.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7794 6.3982 4.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 6.6023 4.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 7.3776 4.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 8.5733 4.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5585 8.0924 6.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 9.2235 6.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 8.5799 8.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7926 7.6496 7.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.0548 -14.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 -1.1676 -12.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 -0.7925 -13.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -2.9835 -11.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8681 -3.5926 -13.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5624 -1.9415 -12.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5944 -1.2498 -11.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 -3.6048 -10.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 -4.1255 -11.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3852 -2.7347 -10.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -1.8929 -9.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1877 -4.9409 -9.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3012 -4.9783 -7.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 -3.0445 -6.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 -1.8939 -7.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8897 -2.4251 -6.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8543 -2.4053 -4.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7378 -2.7661 -4.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7896 -3.7102 -3.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5418 -0.5990 -3.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2893 -0.6690 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 -3.0499 -0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5524 -3.7994 -2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4665 -2.8890 -0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0681 -3.1980 1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0595 -3.2798 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -2.5723 2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4973 -4.6542 3.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0243 -5.5023 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6247 -4.9322 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 -5.8448 3.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 -2.7586 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7766 -3.8676 4.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 -4.7302 4.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -3.7047 3.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 -0.2285 6.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 -1.1391 7.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 -0.1745 7.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0498 2.2493 7.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8384 1.1989 8.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3368 2.4088 5.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 3.5867 4.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9025 0.5571 4.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 1.8044 3.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 2.5046 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8191 1.1472 2.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0604 0.3260 0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -0.5144 2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 1.2496 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 1.6421 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 -0.6209 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4401 0.1439 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -2.2315 0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2112 -1.9270 1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 -1.9224 2.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 -0.2424 2.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -0.1026 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 0.1189 0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6759 -2.3734 1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7253 -2.3486 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2933 -1.6549 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5788 -0.0177 0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9189 -0.2550 -1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3846 -1.9564 -1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9908 -1.0033 -1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 0.6196 -1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 0.3848 -3.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -1.1574 -5.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6099 -2.5786 -2.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -3.2821 -4.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4003 -2.5781 -4.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 -1.4803 -3.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 -3.3782 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -3.5553 -2.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 -5.0906 -4.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 -4.9114 -3.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5938 -5.7576 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -6.9348 -2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 -6.9755 -1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 -5.2045 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6741 -5.6087 -4.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 -7.4060 -4.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 -6.1188 -2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6348 -7.6241 -3.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 -6.0898 -4.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3029 0.6899 3.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7378 2.0840 4.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 3.0770 4.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 1.6875 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2924 3.6109 2.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 2.2007 1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 4.2869 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 3.2091 1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 5.6187 3.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5121 4.5255 3.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 6.1370 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9751 5.1168 2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2343 7.6109 3.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6901 7.5091 2.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 5.8003 5.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7929 6.1458 5.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3972 6.7140 3.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1854 7.6920 3.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 9.2563 5.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 9.1378 4.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4353 7.4613 5.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 7.5100 6.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2891 9.9443 7.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 9.7183 6.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9947 9.3779 8.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8761 7.9869 8.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3466 7.4791 8.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4829 8.1119 7.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4358 6.6545 7.5805 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 2 0 45 46 1 0 46 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 26 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 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 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 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 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 0 25108 1 0 26109 1 1 27110 1 0 27111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 53156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 68177 1 0 68178 1 0 69179 1 0 69180 1 0 70181 1 0 70182 1 0 71183 1 0 71184 1 0 71185 1 0 M END