HMDB0013189 RDKit 3D 3-Indole carboxylic acid glucuronide 39 41 0 0 0 0 0 0 0 0999 V2000 1.3485 -1.7358 -0.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 -0.5173 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 -0.1485 -0.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 -1.0914 -0.0797 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1376 -0.9137 -1.1731 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7962 0.2906 -1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9201 0.2541 -2.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -0.7774 -2.8039 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 1.3500 -2.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4227 0.5823 0.2060 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6700 1.1749 0.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4985 -0.7629 0.9028 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3069 -0.7233 2.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0654 -1.1270 1.2325 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9601 -2.3417 1.8772 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 0.4485 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0564 1.8359 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2719 2.3727 -0.0409 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1863 1.3803 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5599 1.4045 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2678 0.2399 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 -0.9742 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2457 -0.9759 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 0.1880 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8423 -2.0982 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1501 1.1519 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7482 1.2663 -2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7433 1.2694 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 0.7953 0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 -1.5376 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6354 -1.6615 2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6552 -0.3026 1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 -2.7998 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 2.3452 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 3.3824 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0924 2.3380 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3619 0.2359 -0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1636 -1.9050 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 -1.9125 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 2 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 14 4 1 0 24 16 1 0 24 19 1 0 4 25 1 6 6 26 1 0 9 27 1 0 10 28 1 1 11 29 1 0 12 30 1 6 13 31 1 0 14 32 1 1 15 33 1 0 17 34 1 0 18 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 23 39 1 0 M END