HMDB0064462 RDKit 3D TG(19:0/i-24:0/i-18:0) 194193 0 0 0 0 0 0 0 0999 V2000 6.5071 4.8304 -3.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2063 5.0816 -4.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 5.9828 -5.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 6.2918 -6.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 7.0695 -5.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 6.5718 -4.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1695 7.5072 -4.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 7.1131 -3.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 7.1911 -1.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 6.7848 -0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 5.3645 -0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0173 4.9990 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 5.1967 1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 4.7752 2.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 3.3276 2.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 2.8324 4.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 1.3545 3.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 0.6503 4.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 -0.8209 4.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1364 -1.4827 5.0574 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3614 -1.3750 3.6705 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 -2.6888 3.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -2.7402 2.2755 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3671 -1.4999 1.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4526 -1.4694 0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6467 -2.4212 -0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6633 -3.1858 -0.6147 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2391 -2.5174 -1.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -1.7124 -3.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 -0.2540 -3.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 0.4934 -2.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5222 0.3717 -3.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4895 1.2661 -2.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9759 0.9565 -1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9115 -0.2589 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 -0.5527 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3806 -1.6696 0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6039 -1.3212 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2283 -0.0580 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4647 0.3754 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1258 1.6054 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6383 1.6625 1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2834 3.0688 1.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5934 1.6353 2.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 -2.5411 2.9541 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 -2.5964 3.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -3.4192 2.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6835 -1.7718 4.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 -1.8472 5.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2274 -1.5480 4.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 -0.2468 3.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4359 0.2064 3.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2025 1.3992 2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6481 0.8298 0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7451 0.1515 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -0.6154 -1.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5413 -1.8173 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1478 -2.7579 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 -3.1844 -2.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -3.8408 -1.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4309 -5.1299 -1.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4697 -5.4381 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8653 -6.8274 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1517 -7.5007 1.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7603 -7.9249 1.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 -6.9927 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 -7.8846 1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1165 -7.1252 0.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 -6.2798 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2718 -6.2922 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4589 3.8855 -2.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3010 4.6726 -4.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7374 5.6721 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 5.3923 -3.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8531 4.0780 -4.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3038 5.5465 -5.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8223 6.9805 -4.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 5.3090 -6.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 6.7738 -7.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4527 7.2034 -6.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5321 8.1163 -5.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1131 5.5327 -4.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 6.8452 -3.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 7.4541 -5.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 8.5333 -4.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 7.8667 -3.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1324 6.1455 -3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 8.2285 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9953 6.5514 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 7.4761 -0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 6.8431 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8869 5.2151 -1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 4.6385 -0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 5.6711 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 3.9607 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 4.6787 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 6.3123 1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 5.4250 2.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 4.9898 3.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 2.6896 2.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0801 3.1200 1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5248 2.9724 4.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 3.3400 4.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9346 1.2246 2.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3287 0.9304 3.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5861 0.7749 5.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1442 1.0245 5.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1493 -2.9097 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2474 -3.4466 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1186 -3.5869 1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2791 -0.6142 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -1.6263 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.4067 -1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 -3.6149 -2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 -1.9549 -3.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -2.1601 -3.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 0.2134 -4.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8781 0.1573 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3294 0.3912 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 1.6003 -2.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 -0.6987 -3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3981 0.6847 -4.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3868 1.4859 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 2.2860 -2.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1065 0.7805 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5058 1.8276 -0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5167 -1.1150 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8159 0.1053 -1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7447 0.3976 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 -0.8964 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7350 -1.8859 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9419 -2.6381 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3074 -1.1912 -1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3280 -2.1686 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4795 0.7584 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4932 -0.3409 1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1763 0.5511 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2295 -0.4512 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0207 1.7713 -0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5039 2.5253 -0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4568 0.9136 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7122 3.2042 2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4148 3.7752 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9656 3.2456 0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7786 2.4850 3.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6177 1.8803 1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5952 0.6815 2.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 -1.9353 5.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 -0.6980 4.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1465 -2.9358 5.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0712 -1.3040 6.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 -2.3964 3.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 -1.4502 5.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3614 -0.2534 2.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7557 0.5718 4.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0809 0.5754 3.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 -0.5450 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1825 1.8741 1.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 2.1302 2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2826 1.7134 0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8265 0.1651 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4354 0.9778 -0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4077 -0.5037 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 0.0348 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1717 -0.9865 -1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -1.4241 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 -2.2864 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4673 -3.5588 -1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5312 -2.1178 -2.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6620 -2.2955 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -3.8908 -3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2787 -3.9167 -2.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 -3.1288 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 -6.0009 -1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 -5.3245 -0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4752 -5.4647 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6236 -4.7742 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9743 -6.7880 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 -7.5004 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -6.8422 2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 -8.4538 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6607 -8.8047 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5379 -8.4826 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 -6.2965 1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 -6.4789 0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 -8.6425 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 -8.3960 2.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 -7.8780 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0303 -6.8723 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -5.8030 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 -5.4403 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -5.9462 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -5.4008 2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 -6.9269 3.0326 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 2 0 19 21 1 0 21 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 42 43 1 0 42 44 1 0 23 45 1 0 45 46 1 0 46 47 2 0 46 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 68 70 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 3 77 1 0 4 78 1 0 4 79 1 0 5 80 1 0 5 81 1 0 6 82 1 0 6 83 1 0 7 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 9 89 1 0 10 90 1 0 10 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 12 95 1 0 13 96 1 0 13 97 1 0 14 98 1 0 14 99 1 0 15100 1 0 15101 1 0 16102 1 0 16103 1 0 17104 1 0 17105 1 0 18106 1 0 18107 1 0 22108 1 0 22109 1 0 23110 1 6 24111 1 0 24112 1 0 28113 1 0 28114 1 0 29115 1 0 29116 1 0 30117 1 0 30118 1 0 31119 1 0 31120 1 0 32121 1 0 32122 1 0 33123 1 0 33124 1 0 34125 1 0 34126 1 0 35127 1 0 35128 1 0 36129 1 0 36130 1 0 37131 1 0 37132 1 0 38133 1 0 38134 1 0 39135 1 0 39136 1 0 40137 1 0 40138 1 0 41139 1 0 41140 1 0 42141 1 0 43142 1 0 43143 1 0 43144 1 0 44145 1 0 44146 1 0 44147 1 0 48148 1 0 48149 1 0 49150 1 0 49151 1 0 50152 1 0 50153 1 0 51154 1 0 51155 1 0 52156 1 0 52157 1 0 53158 1 0 53159 1 0 54160 1 0 54161 1 0 55162 1 0 55163 1 0 56164 1 0 56165 1 0 57166 1 0 57167 1 0 58168 1 0 58169 1 0 59170 1 0 59171 1 0 60172 1 0 60173 1 0 61174 1 0 61175 1 0 62176 1 0 62177 1 0 63178 1 0 63179 1 0 64180 1 0 64181 1 0 65182 1 0 65183 1 0 66184 1 0 66185 1 0 67186 1 0 67187 1 0 68188 1 0 69189 1 0 69190 1 0 69191 1 0 70192 1 0 70193 1 0 70194 1 0 M END