HMDB0011723 RDKit 3D 2-Methylhippuric acid 25 25 0 0 0 0 0 0 0 0999 V2000 -1.6332 -0.9821 -2.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 -0.1779 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1727 0.4316 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4106 1.1708 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 1.3151 1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 0.7031 1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9418 -0.0449 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3405 -0.6934 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 -1.8176 -0.5958 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 -0.0117 0.3812 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8341 -0.5981 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 0.3016 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 1.4079 1.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 -0.0453 0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4769 -0.8193 -2.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 -2.0869 -1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -0.7351 -2.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 0.3174 -1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 1.6623 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5984 1.8915 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 0.7912 2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 0.9226 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8189 -1.5503 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0386 -0.8676 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6483 -0.4849 -0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 7 2 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 14 25 1 0 M END