HMDB0094724 RDKit 3D 3-hydroxyphenylpropionylglycine 29 29 0 0 0 0 0 0 0 0999 V2000 2.3094 2.1853 -0.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 1.3821 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 1.7751 1.4351 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3057 0.0478 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3456 -0.1655 -1.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1731 -0.5852 -0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8658 -0.8184 0.3694 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1212 -0.8294 -2.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 0.0523 -1.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -0.1709 -2.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 -0.1023 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 0.8378 0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8185 0.7774 1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 -0.2663 2.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9527 -1.2209 1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -1.1410 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 1.1219 2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 -0.7151 0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -0.1233 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2675 -0.3380 1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -1.8876 -2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 -0.4925 -2.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 1.1157 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8077 -0.5697 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 1.6833 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5935 1.5125 2.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0433 -0.3368 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -2.0561 1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 -1.8927 -0.6998 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 2 3 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 3 17 1 0 4 18 1 0 4 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 M END