HMDB0043847 RDKit 3D TG(16:0/14:0/22:2(13Z,16Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -6.2645 7.7816 5.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1701 8.2925 4.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9116 7.7264 3.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5036 8.0423 2.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2364 7.5117 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3675 6.0782 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 5.2980 0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 5.8303 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0557 5.1474 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 4.4716 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7097 4.2901 -0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 2.8074 -1.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 2.0180 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 0.5776 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0712 -0.0719 -0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 -1.5574 -0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -2.0832 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -3.5520 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 -4.4051 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -5.8634 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 -6.7866 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -6.6951 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -6.0444 -0.9668 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 -7.2845 0.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 -7.3431 0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4909 -6.0280 0.4844 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9502 -6.3938 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -5.4729 0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0919 -4.4644 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2121 -4.2941 -1.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2971 -3.6394 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4674 -2.5733 -1.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3591 -2.9991 -3.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7704 -1.8248 -4.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5855 -2.1034 -5.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 -2.1995 -5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4806 -0.8287 -5.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 -0.8088 -6.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5011 0.6373 -6.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 1.2799 -4.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.7446 -4.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 2.9356 -5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 4.3174 -5.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5154 5.2940 -4.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 5.6655 -3.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 -5.1794 1.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7003 -3.9465 1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3753 -3.6631 0.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 -2.9498 2.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9733 -3.0109 2.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 -1.9359 3.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6297 -1.9012 4.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 -0.7962 5.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1049 -0.6730 6.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1845 -0.4178 5.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5283 -0.2891 5.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -0.0358 4.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8035 -1.1494 3.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -0.9490 2.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7189 0.2960 1.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3997 0.1738 1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2237 6.6654 5.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2081 8.1207 5.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5772 8.0991 6.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0326 9.3935 4.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2363 8.1429 4.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0825 6.6222 3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6738 8.1517 2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4166 9.1468 2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 7.7099 3.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3719 8.0247 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1047 7.9584 0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3675 5.6254 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5348 4.2056 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 6.9252 0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 5.6264 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2092 5.2230 2.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 4.0127 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 4.7089 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 4.7848 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 2.7408 -2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 2.3771 -0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 2.4147 -0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 2.1878 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 0.5150 -1.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0181 0.0166 -0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3482 -0.0646 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 0.3836 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 -2.0161 -0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 -1.6471 -1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 -1.8580 0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1153 -1.5154 -1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6183 -3.8643 -0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -3.7636 -1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -4.2195 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7674 -4.3035 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9932 -6.1055 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -6.0345 -1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 -6.6297 1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4532 -7.8286 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -7.8872 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -7.9520 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -5.5426 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 -7.2712 -0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 -6.9567 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -4.3125 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4535 -3.1755 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7345 -1.7654 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -2.0575 -1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -3.3927 -3.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1553 -3.7799 -3.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2378 -0.9393 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8597 -1.6438 -3.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9526 -1.2099 -6.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 -2.9856 -5.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -2.9259 -5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 -2.5671 -7.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0492 -0.1670 -6.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -0.4125 -4.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8671 -1.1192 -7.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -1.4335 -5.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 1.2477 -6.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 0.5157 -6.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8278 1.3411 -4.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2365 0.8163 -3.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 3.2312 -3.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 3.2629 -5.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3235 2.4501 -4.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5151 2.2674 -5.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2212 4.2720 -5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 4.7487 -6.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 6.2535 -4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 5.0069 -3.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 6.8110 -3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 5.2247 -2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6118 5.3949 -4.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0597 -3.0401 3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5522 -1.9026 2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 -2.9585 2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 -3.9915 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 -0.9211 3.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4504 -2.1245 4.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3949 -1.8438 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7972 -2.8583 5.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 -0.9329 6.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 0.2025 5.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 0.2557 6.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -1.5173 6.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 0.5067 4.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -1.2503 4.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7613 -1.2105 6.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5146 0.5322 6.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5227 0.9198 4.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5863 -0.0000 5.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9076 -2.1415 4.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8695 -1.2292 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8583 -0.8346 3.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0295 -1.8450 2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5009 0.3646 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6673 1.1869 2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2331 -0.9067 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5601 0.6450 1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4837 0.6221 0.2371 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 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 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 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 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 61163 1 0 M END