HMDB0060000 RDKit 3D Hydroxymethoxyphenylcarboxylic acid-O-sulphate 26 26 0 0 0 0 0 0 0 0999 V2000 -4.3564 0.0287 1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7183 -0.2742 -0.0467 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -0.0924 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 0.3843 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2541 0.5586 0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.2474 -0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 0.4650 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 1.1710 -1.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -0.8216 -0.6792 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4793 -1.1303 0.5299 S 0 0 0 0 0 6 0 0 0 0 0 0 2.9079 -2.2249 1.3982 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7967 -1.6547 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 0.2177 1.5066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -0.2263 -1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -0.5633 -2.6987 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 -0.4027 -1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8315 -0.4252 2.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3996 -0.3563 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3249 1.1348 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 0.6227 1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3709 0.9237 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.9997 0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7926 1.7674 -1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 0.9275 1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -0.5015 -2.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -0.7751 -2.2031 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 1 0 10 11 2 0 10 12 2 0 10 13 1 0 6 14 1 0 14 15 1 0 14 16 2 0 16 3 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 5 21 1 0 7 22 1 0 8 23 1 0 13 24 1 0 15 25 1 0 16 26 1 0 M END