HMDB0245216 RDKit 3D 2-Methyl-2-phenoxypropanoic acid 25 25 0 0 0 0 0 0 0 0999 V2000 -2.1995 0.7422 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3683 0.1626 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6235 1.0823 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0504 0.3154 -0.8719 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 -0.0071 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 0.9030 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 0.6493 1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 -0.5487 1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -1.4789 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -1.1967 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8532 -1.1627 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 -2.1902 -0.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 -1.2764 0.1754 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2117 0.9948 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 0.0286 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6701 1.6589 -1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2699 2.1073 0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 1.1580 0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 0.6384 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1869 1.8513 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 1.3863 1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 -0.7771 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4404 -2.4325 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3437 -1.9216 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -0.6865 -0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 2 11 1 0 11 12 2 0 11 13 1 0 10 5 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 13 25 1 0 M END