HMDB0002390 RDKit 3D 3-Cresotinic acid 19 19 0 0 0 0 0 0 0 0999 V2000 -2.4770 -1.0666 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2959 -0.1633 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 1.1817 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 2.0355 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8851 1.4734 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0557 0.0935 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.4277 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 -1.6306 0.6053 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 0.4267 0.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -0.7460 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -2.1019 0.3426 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2856 -0.5312 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7314 -1.4654 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 -1.9360 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 1.6175 -0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 3.0936 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7575 2.1250 -0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8543 0.7629 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6919 -2.7409 0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 2 0 10 11 1 0 10 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 5 17 1 0 9 18 1 0 11 19 1 0 M END