HMDB0240440 RDKit 3D 2-Hydroxyphenylacetic acid glucuronide 45 46 0 0 0 0 0 0 0 0999 V2000 -1.2239 -2.0261 -0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 -0.9691 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 -0.0087 0.0599 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1023 -0.6558 0.3526 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -1.1384 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 -1.8373 1.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -2.3554 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8146 -2.2067 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1973 -1.5302 -1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 -0.9840 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 -0.2823 -2.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4003 1.1701 -2.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 1.7105 -1.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9172 2.0492 -3.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2432 0.9802 1.0488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 1.8828 0.6354 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6916 2.6575 1.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5734 3.5485 1.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1754 2.4234 3.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 1.2570 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6268 1.9668 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -0.2069 0.1355 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2881 -0.3978 1.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8073 -2.9950 -0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 -2.2964 -1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7296 -1.7229 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 -1.4650 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 0.4482 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4034 -1.9413 2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -2.8991 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 -2.6325 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -1.4422 -2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 -0.6017 -2.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 -0.5759 -3.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 2.1774 -3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 2.6294 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7485 2.5232 3.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 1.3072 -1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 3.0289 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3565 1.4870 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0736 1.9281 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 -0.6034 -0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 0.2713 2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 -0.2280 1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1667 -1.4446 1.7813 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 3 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 2 1 0 10 5 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 6 6 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 11 33 1 0 11 34 1 0 14 35 1 0 16 36 1 6 19 37 1 0 20 38 1 0 21 39 1 0 21 40 1 0 21 41 1 0 22 42 1 6 23 43 1 0 23 44 1 0 23 45 1 0 M END