HMDB0240526 RDKit 3D Homovanillic acid 4-glucuronide 43 44 0 0 0 0 0 0 0 0999 V2000 2.3649 3.2802 -0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 2.2730 -0.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8198 0.9709 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 0.5779 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -0.7173 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9556 -1.1247 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5451 -1.0444 1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8365 -0.6678 2.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8606 -1.3771 1.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -1.6571 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 -1.3071 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8325 0.0030 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4635 0.4220 -0.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 -0.3859 0.0926 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3641 -0.2849 -1.0518 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -0.8732 -0.8803 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3673 -0.7043 -2.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5184 -1.1566 -2.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 -0.0577 -3.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4277 -0.2005 0.1903 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7470 -1.1584 1.1497 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5231 0.8679 0.8212 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2359 1.8517 -0.0892 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3082 0.1244 1.3185 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7722 -0.9812 2.0311 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 3.1923 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 3.0945 -1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 4.2890 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8901 1.3535 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -0.4872 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0835 -2.1675 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6478 -0.8643 1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8043 -2.7043 0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5187 -2.1114 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2678 -1.4286 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 -1.9541 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0665 0.6117 -3.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3577 0.2621 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7066 -1.1513 1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0268 1.2929 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3378 2.2522 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 0.7052 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7924 -0.8575 2.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 12 3 1 0 24 14 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 6 30 1 0 6 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 14 35 1 1 16 36 1 1 19 37 1 0 20 38 1 6 21 39 1 0 22 40 1 1 23 41 1 0 24 42 1 1 25 43 1 0 M END