HMDB0071844 RDKit 3D TG(10:0/i-15:0/i-18:0) 140139 0 0 0 0 0 0 0 0999 V2000 -2.5349 -7.1227 1.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -6.7007 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6459 -5.2338 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7653 -4.3552 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3909 -2.8924 0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9601 -2.3501 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 -0.8798 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -0.6450 0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1108 0.8180 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2305 1.6216 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 0.9608 1.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 2.9799 1.3696 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 3.6757 1.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5403 3.4892 1.1150 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7361 4.1363 1.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8661 3.7941 3.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9464 2.5647 3.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8793 1.5347 2.9119 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1112 2.2788 5.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5717 0.8869 5.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 0.9127 5.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -0.3797 5.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -0.0740 5.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.2580 5.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 -0.7576 5.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4539 -1.8235 5.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3813 -2.8589 4.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 -3.8981 4.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -4.9386 3.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8577 -4.3004 1.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 -5.3987 1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 -5.0547 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4684 -4.1481 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2983 -2.7796 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1863 -3.9616 -2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 3.8955 -0.2374 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5184 3.0446 -1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 1.8509 -1.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 3.5268 -2.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 2.3998 -3.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 2.8768 -5.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 3.4850 -5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 2.4770 -4.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 2.7584 -5.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 3.9006 -4.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 5.2379 -4.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 6.4593 -4.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 6.8801 -3.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5575 6.3937 -2.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1632 5.0877 -2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 4.5343 -3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 4.0380 -1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 -8.2110 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6224 -6.9140 1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 -6.6034 2.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8626 -6.8629 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -7.2861 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -4.9568 -0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -5.1754 1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1885 -4.6942 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6398 -4.4124 0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 -2.7371 1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3154 -2.3501 1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -2.5121 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 -2.8721 -0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -0.5200 -1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5704 -0.3788 -0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8655 -0.9292 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 -1.2041 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 0.9116 1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1196 1.1997 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5158 3.2388 2.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 4.7425 2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7786 2.4084 1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7177 5.2448 1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6394 3.7165 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 2.9950 5.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1705 2.2856 5.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1048 0.0887 4.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7237 0.7339 6.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 1.2738 4.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6641 1.6485 5.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 -0.7433 6.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6612 -1.1982 4.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 0.3770 4.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 0.6879 5.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -2.0643 4.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0587 -1.6658 6.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5876 -0.0444 6.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 -0.1750 4.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 -2.3077 6.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -1.3302 5.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 -2.3280 3.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 -3.3069 4.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4386 -3.4266 4.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2001 -4.4492 5.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 -5.4689 3.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2898 -5.6787 3.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7486 -3.6908 2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9543 -3.6808 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0195 -6.0508 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7414 -6.1502 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4474 -6.0007 -1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3984 -4.6471 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4594 -4.5950 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 -2.5782 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -2.5738 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4009 -1.9891 -1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4215 -3.8070 -3.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7985 -3.0418 -2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 -4.8555 -2.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2305 3.8323 -2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9432 4.3816 -2.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 1.5412 -3.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5541 2.0709 -3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9572 3.6239 -5.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2601 2.0182 -5.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 4.3715 -4.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 3.8356 -6.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 1.5299 -5.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 2.0764 -3.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2629 1.8281 -4.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 2.9156 -6.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 3.7289 -4.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 3.7818 -3.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 5.2891 -5.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1261 5.3402 -5.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6879 7.3509 -4.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 6.4296 -3.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 8.0352 -3.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 6.9943 -4.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 6.6090 -1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 7.2005 -2.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0871 5.3441 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 3.4487 -3.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4927 4.9667 -4.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 4.7413 -3.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4515 4.3949 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 3.0779 -2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9916 3.8256 -0.9093 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 2 0 10 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 2 0 17 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 33 35 1 0 14 36 1 0 36 37 1 0 37 38 2 0 37 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 13 72 1 0 13 73 1 0 14 74 1 6 15 75 1 0 15 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 23 85 1 0 23 86 1 0 24 87 1 0 24 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 34106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 35111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 51135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 52140 1 0 M END