HMDB0140929 RDKit 3D 4-methoxy-3-(sulfooxy)benzoic acid 24 24 0 0 0 0 0 0 0 0999 V2000 -1.8638 2.6376 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6633 1.3076 -0.1436 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3868 0.7619 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 1.4764 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9003 0.9026 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0941 -0.3854 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4317 -0.9520 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6345 -2.1293 -0.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 -0.2435 0.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0618 -1.1221 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1838 -0.5383 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -1.2218 -1.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -2.1967 -0.1820 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.0999 -2.1286 1.3145 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 -3.6168 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8775 -1.5928 -0.4489 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 2.6704 1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 3.0214 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 3.2681 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 2.5023 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7092 1.5002 1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3287 0.3865 1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 -2.1311 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4889 -2.1764 0.0716 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 13 14 2 0 13 15 2 0 13 16 1 0 11 3 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 5 21 1 0 9 22 1 0 10 23 1 0 16 24 1 0 M END