HMDB0041666 RDKit 3D 3-Hydroxyphenyl-valeric acid 28 28 0 0 0 0 0 0 0 0999 V2000 -3.7623 0.8573 1.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 0.7722 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 1.8815 -0.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1033 -0.5604 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 -1.5216 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 -0.9994 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -0.8105 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1987 -0.2890 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 -1.1322 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 -0.6525 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7879 0.7047 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 1.5740 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 2.9657 -0.2056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 1.0686 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1245 2.8304 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 -0.5163 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1359 -1.0084 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9108 -1.6620 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -2.4680 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 -0.0641 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 -1.7588 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1615 -1.8150 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7316 -0.0830 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1483 -2.2205 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4222 -1.3243 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 1.1407 0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8915 3.3157 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6481 1.7750 -0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 8 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 13 27 1 0 14 28 1 0 M END