HMDB0060734 RDKit 3D 3-(3-Hydroxyphenyl)-2-methylpropionic acid 25 25 0 0 0 0 0 0 0 0999 V2000 -3.1925 -0.7468 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8397 -0.0246 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 -1.0745 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5591 -0.5985 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 -0.5414 -1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7221 -0.0818 -1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1672 0.3158 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 0.2673 1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7668 0.6611 2.4821 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0532 -0.1897 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9548 1.0392 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9863 1.2626 1.1173 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 1.8502 0.6517 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 -1.7505 -1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 -0.7883 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8661 -0.0795 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6806 0.4476 -1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1561 -1.5583 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9007 -1.8567 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 -0.8474 -2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -0.0383 -1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 0.6824 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7085 1.0006 2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -0.2235 1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 2.8729 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 2 11 1 0 11 12 2 0 11 13 1 0 10 4 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 13 25 1 0 M END