HMDB0131144 RDKit 3D 3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid 30 30 0 0 0 0 0 0 0 0999 V2000 -3.1639 -2.8761 0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8894 -1.5140 0.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 -1.0172 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6409 -1.8791 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5968 -1.3995 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9081 -0.0411 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 0.3782 -0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 0.3666 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5632 0.8127 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7193 1.1287 -1.5083 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 0.9045 0.5142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0848 0.7801 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3393 0.3215 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3178 1.1825 0.7433 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 1.9669 -0.2632 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.3309 2.8114 0.5999 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2826 0.9853 -1.0244 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7024 2.9696 -1.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2158 -3.0292 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 -3.5258 1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0901 -3.2125 -0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 -2.9474 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 -2.1079 -0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.4193 -1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 -0.2970 -1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 1.0094 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 -0.6827 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9818 1.8071 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 1.8406 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1742 3.8452 -1.4502 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 1 0 9 10 2 0 9 11 1 0 6 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 13 3 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 5 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 11 28 1 0 12 29 1 0 18 30 1 0 M END