HMDB0000859 RDKit 3D Methyl hippurate 25 25 0 0 0 0 0 0 0 0999 V2000 4.2899 1.1104 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 0.2119 -0.3611 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9745 -0.9854 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 -1.3781 1.3818 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 -1.6580 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 -0.8930 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 -1.1739 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 -2.1447 -1.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 -0.3950 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6479 0.9742 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 1.8778 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 1.3935 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 0.0336 0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9898 -0.8496 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1137 1.1864 1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 2.1358 -0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3306 0.9705 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -1.6453 -1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -2.7145 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 -0.1593 0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 1.3658 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 2.9553 -0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 2.0502 0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 -0.3646 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1688 -1.9041 0.2961 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 M END