HMDB0059991 RDKit 3D 5-(3'-Hydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide 52 54 0 0 0 0 0 0 0 0999 V2000 -5.6056 -0.1622 0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1878 -0.4213 -0.0018 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2913 -0.6585 1.1931 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8152 -1.6711 2.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9874 -1.5203 2.5613 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1062 -2.7694 2.5715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -0.9660 0.8215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 0.0221 0.0357 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0877 -0.2164 -0.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 0.5807 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 1.7480 0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 2.5022 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 2.1051 0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 0.9228 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7163 0.4969 -0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3885 -0.3237 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 -1.5587 0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9136 -2.4418 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2318 -1.9422 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8336 -2.4640 -1.7328 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5861 -0.8693 0.0342 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 0.1906 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2384 0.2682 -1.2295 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5316 1.1977 -2.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5762 0.7576 -0.7619 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4622 1.2572 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1153 -1.1234 0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5925 0.3832 1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1466 0.4402 -0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1446 -1.2875 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2451 0.3085 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 -2.9091 3.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5146 0.9534 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 2.1034 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 3.4107 1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 2.6625 0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 1.3813 -0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 -0.1091 -1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6301 0.2909 1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -2.0312 1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 -1.3496 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0146 -3.4928 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -2.3389 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 -0.7396 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3772 -0.7023 -1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 2.2450 -1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 0.8746 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9217 1.0675 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4311 1.5645 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8264 1.7692 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1235 0.5047 -2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1161 2.0602 -1.4216 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 2 0 4 6 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 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 14 22 2 0 8 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 2 1 0 22 10 1 0 21 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 6 3 31 1 1 6 32 1 0 8 33 1 1 11 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 22 44 1 0 23 45 1 6 24 46 1 0 24 47 1 0 24 48 1 0 25 49 1 1 26 50 1 0 26 51 1 0 26 52 1 0 M END