HMDB0002072 RDKit 3D 4-Methoxyphenylacetic acid 22 22 0 0 0 0 0 0 0 0999 V2000 -4.0110 0.1751 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 0.7435 -0.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6373 0.3402 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7235 1.0646 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 0.7275 -0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 -0.3740 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5154 -0.6608 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 -0.0374 0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1039 -0.6011 2.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8391 1.1717 0.7872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1783 -1.0888 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 -0.7381 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 1.0012 0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6017 -0.3077 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5604 -0.6042 0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 1.9212 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 1.2616 -1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -0.2503 -1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 -1.7655 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4939 1.2501 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -1.9371 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8916 -1.2917 1.2175 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 1 0 6 11 1 0 11 12 2 0 12 3 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 5 17 1 0 7 18 1 0 7 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 M END