HMDB0010319 RDKit 3D Indoxyl glucuronide 37 39 0 0 0 0 0 0 0 0999 V2000 -1.0606 1.8186 1.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 1.7204 0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 2.1550 1.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 1.1495 -0.5749 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5536 0.7376 -1.3455 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -0.3761 -0.9279 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3122 0.0649 -0.2913 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 -0.1837 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 -0.8453 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2159 -0.8250 -2.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7461 -0.1819 -1.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0515 0.1235 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3031 0.8148 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2815 1.2316 1.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9859 0.9368 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 0.2445 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 -1.3457 -0.0832 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1880 -2.6416 -0.3601 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1105 -1.2769 -0.2073 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7170 -1.8449 0.9142 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6693 0.1009 -0.3972 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5193 0.1695 -1.5027 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7811 2.9594 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 2.0013 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5564 -0.8980 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1731 -1.2986 -2.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.2425 -2.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -0.2090 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3155 1.0495 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 1.7808 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1519 1.2418 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 -1.1490 0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2613 -2.7747 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4378 -1.8960 -1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4043 -1.2823 1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2786 0.4276 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 -0.4566 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 6 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 4 1 0 16 8 1 0 16 11 1 0 3 23 1 0 4 24 1 6 6 25 1 6 9 26 1 0 10 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 17 32 1 1 18 33 1 0 19 34 1 6 20 35 1 0 21 36 1 1 22 37 1 0 M END