HMDB0240458 RDKit 3D 4-Methylcatechol 1-glucuronide 37 38 0 0 0 0 0 0 0 0999 V2000 5.8731 0.6937 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4699 0.2825 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1095 -1.0418 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 -1.4102 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -0.4880 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -0.9586 0.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -0.3670 0.1975 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6531 -0.7511 -0.7605 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 0.0744 -0.8181 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7920 -0.5519 -1.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 -1.6844 -2.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0161 0.0378 -1.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 0.4874 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5371 -0.2008 0.7075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 0.2888 1.6809 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2477 0.0451 2.8286 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 -0.7705 1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0399 -1.9918 1.3777 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 0.8315 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 1.8435 -0.1732 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4646 1.2067 -0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0826 1.7162 -0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1854 0.5277 -1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5281 0.0145 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -1.7723 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -2.4682 -0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 0.7278 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4082 0.9909 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0488 1.0248 -2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6061 1.5583 0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3585 -1.1131 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9156 1.2440 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 0.0844 3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.7562 2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 -2.4199 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 2.8108 -0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7324 2.2552 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 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 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 5 19 1 0 19 20 1 0 19 21 2 0 21 2 1 0 17 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 7 27 1 1 9 28 1 6 12 29 1 0 13 30 1 0 14 31 1 0 15 32 1 1 16 33 1 0 17 34 1 0 18 35 1 0 20 36 1 0 21 37 1 0 M END