HMDB0010347 RDKit 3D Octanoylglucuronide 46 46 0 0 0 0 0 0 0 0999 V2000 6.8433 0.9524 -1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9629 0.5031 -0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8842 -0.4850 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 0.1729 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -0.8089 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 -0.0825 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 -0.9635 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 -0.2235 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2543 0.9646 -0.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5659 -0.7486 0.1964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7349 0.0194 -0.0399 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4127 0.1257 1.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6194 0.8081 1.0383 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3570 0.7047 2.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8898 0.0716 3.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6036 1.3337 2.4098 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4906 0.2314 -0.0346 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4997 1.1035 -1.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 -1.0695 -0.4908 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7016 -1.8727 0.6205 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5195 -0.6985 -1.1142 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7965 0.2254 -2.1472 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7759 0.0704 -2.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9923 1.6471 -1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7605 1.5350 -2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8722 1.3883 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9561 0.0363 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9132 -1.3609 -0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9799 -0.7629 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 1.0227 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3995 0.4542 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 -1.1170 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 -1.6709 -0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0811 0.8458 0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0915 0.1902 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9577 -1.9173 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0474 -1.2372 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4123 1.0247 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4525 1.8974 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0370 1.4143 3.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5424 0.0929 0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2389 1.9867 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5254 -1.5757 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9063 -2.4427 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9986 -1.5550 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 -0.2304 -2.9222 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 2 0 8 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 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 11 38 1 6 13 39 1 6 16 40 1 0 17 41 1 1 18 42 1 0 19 43 1 6 20 44 1 0 21 45 1 6 22 46 1 0 M END