HMDB0094646 RDKit 3D 2-Pentanamido-3-phenylpropanoic acid 37 37 0 0 0 0 0 0 0 0999 V2000 4.9208 1.1691 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 1.0770 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 -0.3718 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -0.3314 0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -1.6838 0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2707 -2.5991 1.6224 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -2.0725 0.5973 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -1.2756 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 -0.4355 0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4379 0.4360 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1358 1.7084 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0911 2.5464 -0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4032 2.1222 -0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7007 0.8528 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7442 0.0200 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -2.2097 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4814 -3.4381 -0.5717 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6434 -1.7492 -1.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 1.0630 -2.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 0.4322 -0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3214 2.1867 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 1.5980 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 1.4928 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 -0.9152 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9824 -0.8205 -1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1906 0.2771 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 0.1762 1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7899 -3.2936 1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2013 -0.6074 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 0.1347 1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9384 -1.1877 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.0702 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 3.5515 -0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1538 2.7877 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7474 0.5422 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0205 -0.9458 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0126 -2.3075 -2.3206 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 1 0 5 6 1 0 5 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 8 16 1 0 16 17 2 0 16 18 1 0 15 10 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 6 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 18 37 1 0 M END