HMDB0240438 RDKit 3D 2-Hydroxy-1,4-benzoxazin-3-one glucuronide 39 41 0 0 0 0 0 0 0 0999 V2000 -3.2907 -2.2771 -2.3697 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -1.2493 -1.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0988 -0.9210 -2.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -0.4149 -0.9607 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7429 -0.8760 -0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 0.1456 -0.2097 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3079 -0.3530 0.0709 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 0.2437 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.8909 0.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 0.6437 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 1.3874 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5757 1.1058 1.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 0.0972 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4114 -0.6217 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -0.3581 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 -1.0537 -1.3088 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.8099 -1.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 -1.5857 -2.4208 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5047 0.7486 1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 0.0859 2.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9839 0.8867 1.0834 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4043 1.0309 2.4064 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6825 -0.2885 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0413 -0.0678 0.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3423 -0.3242 -2.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 0.6448 -1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 0.9045 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8347 0.9944 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7561 2.1699 1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2051 1.6437 2.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 -0.1459 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8636 -1.4071 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6676 -2.2786 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 1.7893 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5286 -0.7609 2.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 1.8141 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3483 0.6925 2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 -1.1962 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4802 -0.9301 0.1048 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 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 6 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 4 1 0 17 8 1 0 15 10 1 0 3 25 1 0 4 26 1 6 6 27 1 6 8 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 18 33 1 0 19 34 1 0 20 35 1 0 21 36 1 6 22 37 1 0 23 38 1 0 24 39 1 0 M END