HMDB0242192 RDKit 3D Sulfuric acid 4-methoxyphenyl ester 21 21 0 0 0 0 0 0 0 0999 V2000 -3.9161 0.2589 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9392 -0.2984 0.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -0.4070 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1704 0.0403 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -0.0567 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0679 -0.6106 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3888 -0.7287 -0.5203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 0.3689 -0.2598 S 0 0 0 0 0 6 0 0 0 0 0 0 3.8464 1.3086 -1.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9006 -0.4276 -0.0918 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4281 1.2580 1.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 -1.0734 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 -0.9605 1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 -0.0614 -0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9175 1.3717 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9222 -0.0917 0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 0.4876 -1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 0.2936 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 2.1742 1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4059 -1.5165 1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 -1.3293 2.4095 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 8 9 2 0 8 10 2 0 8 11 1 0 6 12 1 0 12 13 2 0 13 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 5 18 1 0 11 19 1 0 12 20 1 0 13 21 1 0 M END