HMDB0095542 RDKit 3D TG(12:0/i-16:0/i-14:0) 137136 0 0 0 0 0 0 0 0999 V2000 3.3491 3.4551 4.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3835 3.3186 3.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 4.3819 2.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3769 5.7882 3.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5724 6.7371 2.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4081 8.1926 2.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 8.4787 3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 8.1403 2.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 8.8729 0.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 8.4126 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 6.9237 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0752 6.5305 -0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5265 7.3808 -1.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 5.2485 -0.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5817 4.8706 -1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 3.4979 -1.3834 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0456 2.4767 -0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 1.7209 -1.9299 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 2.1024 -2.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 3.3087 -3.0025 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0074 1.1432 -3.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 0.3588 -3.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3195 1.1937 -3.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4783 0.3388 -2.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5914 1.2898 -2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7910 0.6226 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7208 -0.1392 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4498 0.5524 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2327 1.3032 1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9242 0.6173 1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8741 1.6941 1.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 2.3275 2.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4682 1.1613 1.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0939 3.0046 -2.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3839 2.8757 -1.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 3.2158 -0.6233 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3574 2.2896 -2.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7216 0.8767 -2.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4515 0.0604 -2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 -1.3285 -1.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5559 -2.1534 -1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -3.5535 -0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6529 -4.3456 -0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 -5.7442 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 -6.5585 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2151 -7.9655 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0943 -8.8415 0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5021 -8.3049 2.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -9.1291 2.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -9.2815 1.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 -10.4861 3.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 3.8701 4.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 2.4559 5.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 4.1685 5.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6095 2.3482 3.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 3.3021 4.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8113 4.2365 1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 4.3375 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 6.0177 4.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 5.8614 3.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 6.4344 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 6.6375 1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 8.3747 3.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 8.8493 1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 9.5609 3.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 7.8612 4.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0293 8.3907 2.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 7.0307 2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 8.6534 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 9.9488 1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 8.9980 -0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 8.6489 0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1798 6.7128 -0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 6.3941 0.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 5.0115 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4127 5.6354 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6086 3.6999 -0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 1.7354 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 3.0019 -0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 0.4298 -4.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 1.6806 -4.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 -0.3359 -4.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 -0.3215 -2.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0254 1.8032 -2.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7314 1.8193 -3.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8135 -0.2260 -3.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2358 -0.4309 -1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2319 2.1707 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9169 1.7207 -3.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2561 0.0274 -2.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5620 1.4477 -1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7623 -0.5940 -0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 -1.0816 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6259 -0.1498 1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3163 1.2923 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3629 1.6537 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1059 2.2885 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5756 0.1509 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 -0.1638 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9937 2.4664 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5436 3.3351 2.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 1.7375 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0863 2.4855 3.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 0.3663 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 0.8509 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 2.0339 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2794 2.8776 -2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 2.3225 -3.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3207 0.4203 -3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 0.9684 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7615 0.5294 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 -0.0129 -3.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5319 -1.3911 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -1.8064 -2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 -2.2358 -2.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9152 -1.6447 -0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4525 -4.0501 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5339 -3.5613 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9313 -4.3093 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 -3.8826 0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7548 -5.7642 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5316 -6.2621 -1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2533 -6.0695 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1216 -6.5857 -0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -8.4569 -0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0361 -7.9842 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4501 -9.8670 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 -8.8617 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1839 -7.2590 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3313 -8.3682 2.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -8.5966 3.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -10.3091 2.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 -9.1668 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6157 -8.5526 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1254 -11.1286 2.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 -10.3239 3.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8776 -10.9980 3.8653 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 2 0 12 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 2 0 19 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 31 33 1 0 16 34 1 0 34 35 1 0 35 36 2 0 35 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 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 15 75 1 0 15 76 1 0 16 77 1 1 17 78 1 0 17 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 23 84 1 0 23 85 1 0 24 86 1 0 24 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 32101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 33106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 50132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 51137 1 0 M END