HMDB0071575 RDKit 3D TG(10:0/i-15:0/i-22:0) 152151 0 0 0 0 0 0 0 0999 V2000 -9.7278 -4.3559 -6.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4419 -3.6292 -5.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0992 -3.9828 -4.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9984 -5.4473 -4.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6617 -5.8187 -3.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3669 -5.1040 -2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -5.4587 -1.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -6.9403 -1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -7.1927 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4807 -6.8174 -1.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -7.7335 -2.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 -5.5257 -1.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9131 -5.1622 -2.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 -3.6600 -2.3698 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5379 -3.2849 -3.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 -1.8787 -3.1562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -1.3152 -3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 -2.1303 -4.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1547 0.1572 -3.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 0.4011 -3.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4322 -0.1427 -2.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0519 0.6050 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 0.0897 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3673 0.9659 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 0.4648 2.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9155 1.1867 3.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 1.3764 3.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 2.1893 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 3.6029 2.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3551 4.2855 4.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 5.6990 4.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1672 5.7581 3.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8035 7.0589 3.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 7.7889 4.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 8.0847 5.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9659 6.9521 6.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 7.3683 7.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 7.8306 7.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 6.2686 8.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8416 -2.9604 -2.8203 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 -2.2244 -1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1211 -2.2455 -0.7082 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7735 -1.5053 -2.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5021 -0.9037 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9682 -1.9268 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6108 -1.4069 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 -0.7235 2.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 0.4924 1.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4555 1.0274 3.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 2.2547 3.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 2.5235 2.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 2.5251 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1949 2.8812 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 2.8659 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 3.2131 -1.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8969 1.5009 -1.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7185 -4.8935 -6.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8733 -3.6496 -7.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0068 -5.1193 -6.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3986 -2.5275 -5.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2648 -3.8313 -4.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 -3.7394 -5.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9027 -3.3268 -3.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1473 -6.0312 -5.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7682 -5.6633 -3.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8805 -5.5385 -4.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5746 -6.9282 -3.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2073 -5.3424 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4267 -3.9985 -2.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2183 -5.1591 -2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8725 -4.8559 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7444 -7.2362 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0142 -7.5202 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5396 -8.2424 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 -6.5719 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -5.3641 -3.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 -5.7339 -2.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -3.4850 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 -3.6866 -4.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4235 -3.7577 -2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 0.5242 -4.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8357 0.6828 -2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 -0.0470 -4.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8038 1.4910 -3.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2649 -1.2143 -2.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4974 0.0508 -2.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2797 1.6946 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 0.5071 -1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4421 -0.9179 -0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 0.0939 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 0.7699 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6336 2.0068 0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -0.6169 2.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 0.3122 1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 2.1984 3.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 0.6849 4.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1184 0.3457 4.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6683 1.7136 5.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7097 2.3275 4.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 1.6836 2.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 3.5861 2.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 4.1146 2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 3.7032 4.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3547 4.3980 4.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0639 6.2121 3.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 6.2286 4.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9251 5.0498 3.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0161 5.3128 2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5457 7.0347 2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0033 7.7616 2.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9221 8.7792 3.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5023 7.2346 4.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 8.5393 5.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5778 8.9379 6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6044 6.0064 6.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0909 6.7363 6.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9785 8.2073 8.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8239 8.8569 8.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2531 7.1882 8.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 7.8449 6.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 6.6874 9.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 5.3758 8.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4717 6.0032 9.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4779 -0.6435 -2.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5016 -2.0951 -2.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0262 -0.0591 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4594 -0.4885 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7736 -2.5712 -0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1973 -2.7165 0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4529 -0.6658 0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2754 -2.2333 1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2062 -1.4507 2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6167 -0.3498 2.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1577 0.0814 1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4954 1.2764 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9522 0.1580 3.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3793 1.1742 3.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 2.5741 4.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4551 3.1083 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 1.9072 2.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 3.5798 2.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2282 3.3422 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 1.5506 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5273 2.0590 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 3.8044 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2549 3.5897 -1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 4.2788 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7445 2.8418 -2.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 2.6519 -1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 1.2834 -2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0142 1.3897 -1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.6830 -1.0448 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 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 14 40 1 0 40 41 1 0 41 42 2 0 41 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 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 13 76 1 0 13 77 1 0 14 78 1 1 15 79 1 0 15 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 23 89 1 0 23 90 1 0 24 91 1 0 24 92 1 0 25 93 1 0 25 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 39123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 55147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 56152 1 0 M END