HMDB0059763 RDKit 3D 3,4-Dimethoxybenzoic acid 23 23 0 0 0 0 0 0 0 0999 V2000 -3.0047 -1.9660 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3451 -0.7666 -0.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9715 -0.5806 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.5878 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -1.3171 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 -0.0609 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 0.1973 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 1.3118 -0.0839 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 -0.8235 0.5196 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 0.9363 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 0.6866 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3944 1.7128 -0.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 3.0076 -0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0062 -1.7038 0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4732 -2.5566 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 -2.5896 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4706 -2.5728 0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 -2.1145 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 -1.3002 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2199 1.9465 -0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2512 3.3141 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 3.7490 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 3.0780 -1.8880 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 2 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 11 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 5 18 1 0 9 19 1 0 10 20 1 0 13 21 1 0 13 22 1 0 13 23 1 0 M END