HMDB0049840 RDKit 3D TG(18:1(9Z)/24:0/O-18:0) 190189 0 0 0 0 0 0 0 0999 V2000 -8.0741 -2.5289 4.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1132 -1.7371 3.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3764 -0.2327 3.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 0.5366 2.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5454 2.0439 2.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4929 2.7365 1.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6233 4.2404 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5217 4.9039 1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 4.5972 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6037 3.8806 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4432 3.3053 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 3.6711 -0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8276 3.3040 -2.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 3.5495 -2.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0301 3.1783 -3.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5307 3.2954 -3.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1771 2.8850 -5.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6686 2.8700 -5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0706 3.4066 -3.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5823 2.3278 -5.8795 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9769 2.3105 -5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 1.1861 -4.5076 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4979 1.4893 -3.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6297 0.7119 -2.6119 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8252 1.0190 -2.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0865 0.3694 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1817 0.6831 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7686 0.2332 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9160 0.6257 1.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 0.1037 1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6233 0.4623 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2935 -0.1629 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4923 0.1325 1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.6294 1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2638 -0.4561 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0316 -1.2134 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 -1.0751 -0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2363 -1.8149 -0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2505 -1.7064 -1.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6094 -0.2656 -1.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6296 -0.2075 -3.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9447 -0.8057 -4.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1992 1.3565 -3.5146 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 0.2314 -3.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4318 -0.7730 -4.1128 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.3247 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 -0.0669 -2.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -1.5259 -3.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 -1.7129 -3.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9849 -3.0933 -4.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5883 -4.0992 -3.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 -4.4158 -2.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -5.6451 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 -6.0389 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 -5.1330 1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9006 -5.8135 2.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7521 -5.2869 3.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -3.8737 3.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 -3.6892 5.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2089 -2.3044 5.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 -1.2645 5.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6211 0.1046 5.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 1.1684 5.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 1.0140 5.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8429 1.0970 7.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 0.9661 7.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -0.3483 7.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -0.4290 7.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5572 -3.4559 4.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3919 -1.9927 4.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9146 -2.8988 3.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1319 -2.0042 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0878 -1.8932 3.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4284 -0.0420 3.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1292 -0.0197 4.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3413 0.2035 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3718 0.2906 3.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6322 2.4015 3.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5383 2.2485 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4644 2.3820 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7084 2.4269 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6085 4.5533 1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5192 4.5860 3.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 4.8427 1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 6.0311 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3678 4.9515 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7043 3.6987 -1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 3.5260 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5453 2.1698 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 4.7574 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 3.1323 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4472 4.0207 -2.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 2.2962 -2.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 4.6475 -2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 3.0487 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 2.1216 -4.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 3.8195 -4.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 4.4140 -3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 2.8507 -3.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 3.6570 -6.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8238 1.9429 -5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3223 3.2744 -5.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5793 2.0346 -6.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 0.2452 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 1.1487 -4.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6365 2.5502 -3.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8725 2.1409 -1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7049 0.7918 -2.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1266 -0.7440 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1354 0.6232 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2130 1.7591 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5083 0.1494 1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6801 -0.8495 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3483 0.7900 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 1.7031 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4094 0.1249 2.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 -0.9823 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0592 0.5778 0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 1.5714 2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 0.2086 3.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3463 -1.2869 2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6544 0.1685 3.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 1.2116 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9934 -0.2244 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 -1.7111 1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6742 -0.2902 2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -1.0481 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1069 0.5898 -0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5159 -0.7127 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7713 -2.2661 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 -1.4187 -1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1575 -0.0036 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0551 -2.9263 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 -1.5075 0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1756 -2.2563 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8668 -2.2153 -2.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1174 0.0881 -1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7185 0.3328 -2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8761 0.8784 -3.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5639 -0.7119 -2.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -0.4157 -5.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8787 -0.5132 -4.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0761 -1.8991 -4.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 1.2829 -1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5412 -0.4923 -1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6185 0.4628 -3.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 0.2816 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -2.0609 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -1.8943 -3.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5453 -1.2715 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3268 -1.0152 -4.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -3.0609 -5.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8948 -3.5254 -4.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5088 -3.9208 -2.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -5.1195 -3.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 -3.6093 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -4.5729 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 -6.4672 -2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 -5.3927 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 -7.0651 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5194 -6.0948 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6328 -4.1402 0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -4.9990 1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 -5.9198 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 -6.8848 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6956 -5.4407 4.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 -5.9144 4.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4434 -3.2093 3.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 -3.7140 3.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5821 -4.3780 5.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8702 -3.9533 5.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2073 -2.2137 6.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2703 -2.0626 5.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2142 -1.5043 5.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 -1.3737 4.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 0.0698 6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 0.3158 5.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6997 1.1085 4.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 2.1909 5.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 1.8693 5.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 0.0768 5.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 0.3119 7.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 2.0717 7.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.7713 7.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 1.1277 8.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9115 -0.4221 6.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 -1.1917 7.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0201 -0.5523 6.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3869 -1.3211 8.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5844 0.4956 8.2966 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 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 22 43 1 0 43 44 1 0 44 45 2 0 44 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 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 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 6 81 1 0 7 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 12 91 1 0 13 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 15 97 1 0 16 98 1 0 16 99 1 0 17100 1 0 17101 1 0 21102 1 0 21103 1 0 22104 1 6 23105 1 0 23106 1 0 25107 1 0 25108 1 0 26109 1 0 26110 1 0 27111 1 0 27112 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 42142 1 0 42143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 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 68189 1 0 68190 1 0 M END