HMDB0000118 RDKit 3D Homovanillic acid 23 23 0 0 0 0 0 0 0 0999 V2000 2.9492 1.5629 0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 0.2562 0.1131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 -0.3132 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 0.3494 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0624 -0.2861 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3649 0.4155 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 1.7241 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6846 2.6765 -0.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0902 1.9655 1.5978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -1.6437 -0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 -2.3303 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 -1.6776 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5179 -2.3711 -0.2952 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 1.7584 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 2.3392 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 1.7889 1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 1.3945 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0778 -0.2955 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 0.4291 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5794 1.2189 2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 -2.1816 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 -3.4141 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 -3.3658 -0.4545 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 12 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 6 18 1 0 6 19 1 0 9 20 1 0 10 21 1 0 11 22 1 0 13 23 1 0 M END