HMDB0257458 RDKit 3D Salicylamide glucuronide 37 38 0 0 0 0 0 0 0 0999 V2000 2.7604 2.4834 1.9072 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0491 1.5165 1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 1.5657 1.1657 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 0.4872 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1009 0.4022 0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7107 -0.5682 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9489 -1.4569 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 -1.3655 -1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9168 -0.4042 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.2975 -0.2842 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4344 -1.0619 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 -0.2106 -1.6829 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0203 0.6321 -1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8221 1.4666 -1.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 1.3367 -3.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7557 2.3913 -1.5498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 -0.0405 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 0.9262 0.5368 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 -0.6896 0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 -1.4112 1.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 -1.6897 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 -2.6163 -0.3588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 2.8468 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 2.8380 2.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 1.1233 0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -0.6414 -0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4214 -2.2305 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9969 -2.0768 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 -1.8659 -1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4193 1.3429 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 3.3951 -1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6008 -0.8152 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 0.8622 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 0.0693 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8391 -1.0987 1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -2.1710 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 -2.9738 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 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 9 4 1 0 21 11 1 0 1 23 1 0 1 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 11 29 1 0 13 30 1 0 16 31 1 0 17 32 1 0 18 33 1 0 19 34 1 0 20 35 1 0 21 36 1 0 22 37 1 0 M END