HMDB0000291 RDKit 3D Vanillylmandelic acid 24 24 0 0 0 0 0 0 0 0999 V2000 -3.5318 -0.6745 0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9461 0.5193 0.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 0.6499 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6945 -0.3629 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 -0.2125 0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 -1.3659 0.4534 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0680 -1.8742 1.6865 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9405 -1.1788 0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 -1.4550 1.5103 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7029 -0.7184 -0.5978 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1955 0.9673 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2966 1.9792 -0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 1.8377 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9401 2.8866 -0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6173 -0.5208 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3465 -1.5337 -0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1036 -0.9345 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 -1.2845 0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2706 -2.1777 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -2.2931 2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4199 -0.0197 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2645 1.1003 -0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 2.9107 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 3.7552 -1.2078 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 6 8 1 0 8 9 2 0 8 10 1 0 5 11 2 0 11 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 6 19 1 6 7 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 14 24 1 0 M END