HMDB0048470 RDKit 3D TG(16:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z)) 163162 0 0 0 0 0 0 0 0999 V2000 2.1627 -8.2232 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 -7.0898 -1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8701 -7.1772 -3.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 -7.1222 -3.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 -5.8373 -3.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 -4.6440 -3.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 -3.7982 -4.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 -3.8851 -5.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -2.6940 -4.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -2.6399 -4.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9534 -3.8084 -3.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2534 -3.9706 -2.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9885 -3.2062 -1.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2717 -1.9191 -1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2404 -0.8755 -1.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1124 -0.0668 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 -0.0715 0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 1.3472 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1658 1.3241 1.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5692 2.6427 1.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 2.5646 2.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 1.5359 2.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 1.0732 1.1911 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 1.0218 3.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5517 0.0191 2.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7952 -1.1993 2.3422 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3002 -1.8226 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5784 -0.7954 4.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 -0.9421 5.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 -2.0677 6.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1629 0.2696 5.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0868 0.0050 7.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.3049 7.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 2.1896 6.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5644 3.4690 7.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 4.4814 6.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3027 4.1324 5.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4702 3.7966 6.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0859 2.6498 6.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7258 1.5523 5.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7581 1.0167 4.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3969 1.6606 3.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 2.8789 3.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6035 4.2175 3.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5289 4.5409 2.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5529 -2.2113 1.6952 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -2.8937 0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7485 -2.5547 0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.9392 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 -3.4846 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2285 -2.4670 -1.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6228 -1.1270 -1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2277 -1.0708 -2.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 -1.3465 -3.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8666 -0.3398 -4.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 1.0617 -4.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 1.0879 -4.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 2.4995 -4.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8382 2.5430 -4.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2089 3.8813 -4.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 4.9559 -5.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 6.2376 -5.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 7.3413 -6.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -8.6587 -1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7094 -7.8626 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 -9.0731 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -6.1333 -1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 -7.0843 -1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 -8.0807 -3.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -6.2703 -3.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6126 -7.1837 -4.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -7.9755 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7094 -5.8263 -2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2381 -5.9434 -3.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -4.4465 -3.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 -2.9320 -4.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8188 -4.8507 -5.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1108 -3.7801 -6.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -1.7291 -5.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7669 -1.6497 -4.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 -4.7467 -4.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 -3.8542 -4.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 -4.9198 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3213 -3.5044 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6515 -1.7067 -2.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 -2.0179 -0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1754 -0.7582 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9291 0.6901 0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 -0.1659 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1571 -0.7710 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0669 2.1123 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 1.4192 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 0.4599 1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 1.1189 2.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1443 3.3844 2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 3.0185 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 2.5247 3.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 3.5487 2.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2999 -0.1954 3.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1293 0.4410 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8472 -1.0002 1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -2.7149 3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2361 -2.0580 4.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 1.0183 6.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 0.7681 5.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 -0.5363 7.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7202 -0.6418 6.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 1.0957 8.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2758 1.8279 8.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 2.4690 5.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8046 1.6251 5.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7021 3.9081 7.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3236 3.2694 7.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2566 4.8354 5.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 5.3963 6.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0742 3.5317 4.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5706 5.1573 4.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8356 4.5959 6.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9834 2.4899 6.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8109 1.7273 4.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4018 0.6779 5.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2899 0.0096 3.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6241 0.5665 5.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0722 0.8371 2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6274 1.7302 2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8208 2.9498 2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9949 2.7702 3.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4718 4.9449 3.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2996 4.5542 4.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5367 4.6566 2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7894 5.4770 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5863 3.7383 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6913 -4.8524 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9791 -4.2633 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 -4.4798 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 -3.2540 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0691 -2.9893 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3777 -2.3354 -1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5481 -0.8060 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2827 -0.3433 -2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -1.9377 -1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 -0.1676 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 -2.3421 -3.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 -1.4062 -3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7324 -0.6169 -5.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9523 -0.3294 -4.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 1.4900 -3.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8393 1.7334 -5.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 0.4251 -4.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6867 0.7289 -5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 2.8005 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 3.1345 -5.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6644 2.1377 -5.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2873 1.8492 -4.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8726 3.7533 -5.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 4.2260 -3.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6324 4.7281 -6.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8207 5.1896 -5.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2174 6.5754 -4.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 6.1100 -5.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 7.3004 -6.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2365 8.3515 -5.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 7.2197 -7.2707 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 2 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 26 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END