HMDB0005399 RDKit 3D TG(18:0/20:0/20:0) 185184 0 0 0 0 0 0 0 0999 V2000 -0.1893 -7.0816 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 -8.3636 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -9.0326 -0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 -8.0226 -1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5267 -8.5589 -1.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3961 -7.7078 -2.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7512 -6.3393 -2.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -5.3121 -2.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0521 -5.0958 -3.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9088 -4.1108 -3.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 -2.7902 -2.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 -1.9386 -2.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2983 -0.6164 -2.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 0.3064 -2.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 1.5688 -2.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2505 2.6125 -2.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 3.8132 -1.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 4.4529 -1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 5.6677 -0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6713 6.1823 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1949 6.8154 -1.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 5.9439 0.7599 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 6.4352 0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 6.1316 1.8922 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7332 6.1750 1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4886 5.3296 0.1267 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2416 4.8020 -0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 5.1095 -0.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 3.9545 -1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6187 2.4983 -1.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 1.8534 -0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 2.2545 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 1.4541 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 1.9845 1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9177 1.1478 2.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 1.7005 3.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9265 3.0026 3.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0077 3.5803 4.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2959 4.0303 4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2601 3.1153 3.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5939 3.8362 3.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5159 5.0431 2.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1033 4.9934 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9599 4.2894 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1695 2.8514 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 4.7616 2.2222 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3983 4.3203 3.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 5.1452 4.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 2.8777 3.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7279 2.5615 5.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 1.0252 5.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5912 0.3478 4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 0.6362 4.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9419 0.0311 3.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 -1.4699 3.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7802 -1.9679 2.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 -3.3986 2.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4388 -3.8097 1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3153 -3.0088 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1464 -3.3742 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 -2.5349 -1.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -2.6474 -2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2401 -1.8007 -4.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 -2.1022 -5.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2422 -3.5371 -5.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -3.8002 -6.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -2.8551 -7.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 -7.2477 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 -6.2855 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -6.7744 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 -9.0554 -0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -8.1384 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 -9.2127 0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 -9.9701 -1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3292 -7.2102 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6856 -7.6527 -2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0996 -8.7879 -1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3828 -9.5664 -2.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3375 -8.3096 -3.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9279 -7.6573 -3.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 -5.9512 -3.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3014 -6.3769 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2665 -4.3194 -2.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 -5.3367 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6383 -6.0518 -4.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -4.7519 -4.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 -3.9961 -4.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 -4.6109 -2.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8189 -2.9100 -2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 -2.3330 -3.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 -1.7635 -3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 -2.4755 -2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5639 -0.7234 -1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2767 -0.1189 -2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 0.5723 -3.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -0.1339 -2.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 1.2088 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 1.9904 -1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2842 2.1710 -2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9608 2.9563 -3.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 3.4406 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1535 4.4660 -2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 3.7404 -1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7186 4.8195 -2.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5471 5.4177 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 6.4480 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 7.5647 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8527 6.1732 -0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 6.7609 2.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 7.2208 0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 5.6922 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6059 4.3297 -2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1916 4.2183 -2.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0862 2.0977 -2.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6363 2.0175 -1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6404 1.9639 0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 0.7354 -0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 2.1401 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 3.3184 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 0.4229 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 1.2118 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1462 3.0027 1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 2.0936 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 0.8228 3.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2838 0.1920 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4566 0.9608 3.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0162 1.6854 2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 2.8404 4.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 3.7584 2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 4.4448 5.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 2.8401 5.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1923 4.9978 3.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8816 4.4709 4.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 2.8142 2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4788 2.2599 4.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9991 4.1602 4.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3457 3.1278 2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9114 5.8637 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5720 5.4980 2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1087 6.0960 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 4.7497 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4995 4.3560 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9376 4.8380 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1793 2.6522 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3858 2.3448 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2935 2.3451 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 2.5260 3.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0839 2.3436 3.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9205 2.9596 5.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 2.9690 5.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 0.7412 5.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8765 0.7124 6.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3279 0.4286 3.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -0.7723 4.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 0.2396 5.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1987 1.7452 4.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9998 0.1880 4.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8953 0.5017 2.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7421 -1.7249 3.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -2.0032 4.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6601 -1.3583 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 -1.7029 2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5289 -3.5681 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 -4.1175 2.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 -3.6341 2.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5348 -4.8643 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1203 -1.9508 0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.9902 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 -3.2317 -0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 -4.4504 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 -1.4769 -1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 -2.9162 -2.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -3.7053 -3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1852 -2.3360 -2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2518 -1.8897 -4.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 -0.7340 -3.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -1.9676 -4.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2672 -1.4449 -5.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1915 -4.2645 -4.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1935 -3.6633 -6.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1244 -3.7507 -6.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.8350 -6.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6973 -1.9071 -7.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 -2.6126 -8.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7331 -3.2789 -8.6739 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 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 1 0 27 28 2 0 27 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 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 6 80 1 0 7 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 9 86 1 0 10 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 0 23108 1 0 24109 1 1 25110 1 0 25111 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 43140 1 0 43141 1 0 44142 1 0 44143 1 0 45144 1 0 45145 1 0 45146 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 67185 1 0 M END