HMDB0000496 RDKit 3D 3-Methoxy-4-hydroxyphenylglycol glucuronide 45 46 0 0 0 0 0 0 0 0999 V2000 1.2752 -1.9060 1.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 -1.1300 0.9925 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4324 -0.3896 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -0.4207 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6802 0.2751 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1578 0.2258 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 -1.1177 -0.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 0.9621 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2342 2.3066 0.7935 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1175 1.0500 -1.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 1.1005 -1.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 0.3785 -0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 0.4850 -1.0852 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -0.0194 -0.5301 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3262 -0.7578 -1.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -1.0200 -1.1772 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3495 -1.3700 -2.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 -1.3962 -3.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7078 -1.6688 -2.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4209 0.0416 -0.4981 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6565 -0.4298 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6251 0.5751 0.6702 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3435 1.5336 1.3794 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 1.1349 0.0805 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6051 1.7701 1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -2.5981 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 -1.2979 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5306 -2.5990 2.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 -1.0260 1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6769 0.5759 -1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6006 -1.5976 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1111 0.5261 1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6747 0.8940 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2988 2.6136 -0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7472 1.6355 -2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 1.7160 -2.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3863 -0.6917 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 -1.9361 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0584 -2.4890 -1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5398 0.8865 -1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3574 0.0459 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -0.2482 1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5786 2.2562 0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 1.8388 -0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7665 1.2822 1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 5 10 2 0 10 11 1 0 11 12 2 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 16 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 12 3 1 0 24 14 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 14 37 1 1 16 38 1 1 19 39 1 0 20 40 1 6 21 41 1 0 22 42 1 1 23 43 1 0 24 44 1 6 25 45 1 0 M END