HMDB0048456 RDKit 3D TG(16:1(9Z)/15:0/O-18:0) 157156 0 0 0 0 0 0 0 0999 V2000 -2.6132 0.3800 -5.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2348 0.9176 -5.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 0.3761 -4.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 0.5374 -3.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -0.1644 -2.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 -1.6950 -2.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 -2.1282 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 -2.9646 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 -3.6582 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 -3.2793 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5882 -3.5657 1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0928 -3.1510 3.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 -3.2900 4.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5038 -2.8866 5.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -2.8689 6.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5661 -1.8757 6.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1609 -1.4505 7.5915 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9975 -1.3624 5.3539 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 -0.3740 5.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 -0.0229 3.8450 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2660 1.1932 3.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 1.6647 2.5422 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 2.1229 1.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 3.3148 2.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 3.8010 1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 2.8387 1.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1277 2.4546 3.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 1.5401 3.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5145 2.1937 2.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6864 1.2207 2.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 1.8308 1.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1524 1.0046 2.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2134 -0.3151 1.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1181 -0.2875 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2567 -1.7077 -0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3147 -1.9828 -2.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2302 -1.6399 -2.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8467 -0.2235 -3.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9804 0.6789 -3.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5198 2.1004 -3.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -1.0244 3.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4725 -1.6457 1.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -1.3373 1.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 -2.7084 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -2.7460 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5874 -3.6979 1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6728 -3.2728 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1113 -1.8191 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -1.5701 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7065 -0.0832 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6219 0.5210 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8731 2.0165 -1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7839 2.7447 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0265 4.2062 -2.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9321 5.0010 -3.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1826 6.4873 -3.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1636 7.0203 -2.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -0.6466 -5.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 0.3590 -6.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3919 1.0655 -5.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 0.7682 -6.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 2.0489 -5.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 0.9659 -4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -0.6958 -4.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0228 0.2759 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 1.6624 -2.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9866 0.1661 -3.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1715 0.0046 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5313 -1.9321 -3.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -2.1530 -2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 -1.6953 -2.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 -3.1855 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0853 -3.4748 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1178 -4.7688 -0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8496 -2.1957 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6462 -3.7620 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 -2.9062 1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 -4.6373 1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -2.0705 3.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 -3.7973 3.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1087 -2.7912 3.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 -4.3819 4.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -3.5673 5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 -1.8583 5.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 -2.5841 7.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0134 -3.8584 6.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 0.5135 5.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 -0.7105 5.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 0.2392 3.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2616 0.8886 4.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8897 1.9879 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 2.4428 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5638 1.3809 1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4143 4.1604 2.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3795 3.0338 3.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8119 4.0032 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1222 4.7715 2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5154 3.3360 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 1.9184 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4085 3.3652 3.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 1.8887 3.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 1.1559 4.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0533 0.6582 2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3207 2.3068 1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7585 3.1663 2.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4301 0.2904 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8264 1.0187 3.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7102 2.1550 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1216 2.7797 2.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3400 0.8403 3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0778 1.5863 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4363 -1.0255 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1824 -0.7928 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0458 0.0150 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8220 0.4135 -0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1857 -2.0925 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4309 -2.2974 -0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4814 -3.1140 -2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3296 -1.6132 -2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5218 -2.0260 -4.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3044 -2.1915 -2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1311 -0.2374 -4.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2254 0.1904 -2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2993 0.2577 -4.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8608 0.6312 -2.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 2.8248 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5122 2.3943 -4.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4502 2.2304 -3.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 -3.6711 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -2.5697 0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0581 -1.7290 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 -3.1482 2.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5451 -3.7279 1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1265 -4.6983 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4697 -3.8901 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 -3.4799 -0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 -1.5184 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 -1.1280 0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5751 -1.9918 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2093 -2.0239 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8893 0.4110 0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 0.1749 0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 0.3929 -1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3415 0.0298 -1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1257 2.4393 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8964 2.1015 -0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7698 2.5608 -2.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 2.3142 -3.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3650 4.6053 -1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 4.3156 -1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7119 4.6965 -4.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9493 4.8794 -3.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2067 6.6654 -2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0162 7.0138 -4.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 6.3186 -2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7511 8.0001 -2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7007 7.1987 -1.2468 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 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 20 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 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 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 19 87 1 0 19 88 1 0 20 89 1 6 21 90 1 0 21 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 40128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 57157 1 0 M END