HMDB0000860 RDKit 3D Phenylpropionylglycine 28 28 0 0 0 0 0 0 0 0999 V2000 3.6165 0.4459 1.3817 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 0.5590 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7350 0.3141 0.5941 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 0.9546 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 1.1508 -0.8318 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6184 0.0928 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 -1.0241 -0.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 0.3030 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -0.9609 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 -0.7585 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5888 -0.3351 1.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9496 -0.1270 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7415 -0.3622 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1803 -0.7847 -0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8229 -0.9888 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2974 1.0986 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3932 1.8855 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1519 0.1752 -1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 2.1043 -1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1804 0.5717 -1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 1.1415 0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.3153 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3805 -1.7138 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9615 -0.1532 2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3812 0.2081 2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8121 -0.1991 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8193 -0.9623 -1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -1.3199 -1.8917 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 1 0 6 7 2 0 6 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 15 10 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 M END