HMDB0071961 RDKit 3D TG(10:0/14:0/i-15:0) 128127 0 0 0 0 0 0 0 0999 V2000 -2.5246 2.6408 9.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4617 2.2357 7.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3893 1.0543 7.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4085 0.5665 6.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 0.1303 5.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 -0.9825 6.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1534 -1.4540 6.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 -0.3672 6.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2168 -0.9378 5.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 0.0375 5.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 1.2339 4.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9121 0.8177 3.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6901 2.0269 2.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4524 1.5397 1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 1.0174 0.8139 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 1.5989 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 1.1128 -1.2044 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1034 2.2459 -2.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 1.7252 -3.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7105 1.0735 -3.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7661 0.8982 -3.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 0.5362 -5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1602 -0.1267 -5.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0856 -0.6717 -6.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4706 -1.3318 -6.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -1.8609 -8.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 -0.9134 -9.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8731 0.0994 -9.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 1.1460 -8.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 2.0918 -8.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 0.1098 -1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1148 -1.0015 -0.6608 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -2.0188 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 -1.8442 -1.8219 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2044 -3.2329 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0664 -3.6520 0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 -3.9064 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6997 -4.4508 0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -3.5484 1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 -2.2198 1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4867 -2.4556 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1175 -1.0974 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 -1.3454 -0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -0.2370 -1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6643 0.9328 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7116 1.8426 -1.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 2.4403 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4399 3.0440 -2.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5633 2.9436 9.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2097 1.7835 9.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 3.4960 9.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7812 3.0816 7.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 1.9871 7.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 0.2889 8.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4305 1.3793 7.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 1.4286 5.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1733 -0.2176 5.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 1.0358 5.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1236 -0.2063 4.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 -0.7489 7.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 -1.8473 6.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -1.8924 5.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 -2.2660 6.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9529 -0.0106 7.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 0.4154 5.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 -1.8205 6.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 -1.3171 4.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5739 0.3244 6.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 -0.4975 5.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2337 1.8168 5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 1.9081 4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 0.2257 3.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 0.1765 3.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7841 2.5577 2.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5238 2.7419 2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 0.6738 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0912 2.7481 -2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3303 2.9906 -1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 1.3148 -6.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -0.2683 -5.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 -0.9722 -4.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6577 0.5587 -5.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -1.5048 -6.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 0.0871 -7.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4313 -2.2523 -6.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 -0.6892 -6.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 -2.5809 -8.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6877 -2.4947 -8.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7903 -0.5157 -9.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9818 -1.5890 -10.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 -0.4795 -9.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9232 0.5803 -10.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 1.8181 -8.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 0.8443 -7.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3265 3.1261 -8.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 1.9482 -7.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1915 2.0882 -8.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.3172 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1439 0.5581 -1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5056 -4.0900 -0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1345 -3.1273 0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3274 -4.5586 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 -2.8117 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 -4.6799 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -2.9668 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 -4.6339 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 -5.4583 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 -3.3168 2.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -4.0792 2.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4758 -1.7110 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4853 -1.5475 2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 -2.9455 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2403 -3.0684 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 -0.6885 -0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 -0.4690 1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9877 -1.9288 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9349 -2.1106 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8012 0.1083 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9901 -0.6903 -1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5175 1.5949 -2.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1683 0.6063 -2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 1.3887 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2641 1.7301 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 3.3197 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3289 2.7883 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1907 3.8323 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 2.7123 -3.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4006 3.3799 -1.8873 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 2 0 14 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 1 0 28 29 1 0 29 30 1 0 17 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 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 45 46 1 0 46 47 1 0 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 17 76 1 1 18 77 1 0 18 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 24 83 1 0 24 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 48128 1 0 M END