HMDB0060024 RDKit 3D Vanillic acid 4-O-glucuronide 40 41 0 0 0 0 0 0 0 0999 V2000 -3.5149 -3.0020 -0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3714 -2.2215 -0.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -0.9501 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7847 -0.4520 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 0.8006 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3232 1.2878 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3144 0.5768 0.8714 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4934 2.5533 1.6491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 1.5582 1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5784 1.0597 0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3854 -0.1921 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1448 -0.7292 -0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 -0.1369 0.0923 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7853 -0.0454 -1.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 0.7481 -1.0036 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5050 0.9592 -2.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 0.4424 -3.3477 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6545 1.7313 -2.5186 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 0.1489 -0.0413 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9397 1.0470 0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -0.0213 1.2935 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0328 -0.5296 2.2522 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -0.9451 0.9952 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3819 -1.3849 2.1395 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1903 -4.0541 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1868 -3.0664 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0559 -2.6326 -1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6501 -1.0797 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3183 3.3883 1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 2.5502 1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 1.6905 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 0.8737 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 1.7172 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 2.5268 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2432 -0.8450 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 0.5927 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 0.9942 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 -1.5068 2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4051 -1.8176 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -1.6346 2.0131 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 2 0 6 8 1 0 5 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 3 1 0 23 13 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 13 32 1 1 15 33 1 1 18 34 1 0 19 35 1 6 20 36 1 0 21 37 1 1 22 38 1 0 23 39 1 6 24 40 1 0 M END