HMDB0029170 RDKit 3D 3-Hydroxy-4-methoxymandelate 24 24 0 0 0 0 0 0 0 0999 V2000 3.8943 -0.6234 -0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 -1.1321 0.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6215 -0.6250 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 0.4580 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 1.0041 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9556 0.4465 0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 1.0289 0.3889 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2128 2.4350 0.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1675 0.6407 -0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6868 1.4818 -1.5125 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4142 -0.6971 -0.9923 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5881 -0.6313 1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6951 -1.1716 1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 -2.2634 1.8043 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -0.2715 -1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7122 -1.3558 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3658 0.2476 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 0.9339 -1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3258 1.8474 -1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8459 0.7300 1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 2.6424 1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 -1.4068 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3327 -1.0483 1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3546 -2.6701 2.4298 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 1 0 7 9 1 0 9 10 2 0 9 11 1 0 6 12 1 0 12 13 2 0 13 14 1 0 13 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 5 19 1 0 7 20 1 1 8 21 1 0 11 22 1 0 12 23 1 0 14 24 1 0 M END