HMDB0061682 RDKit 3D 2-Acetamido-4-methylphenyl acetate 28 28 0 0 0 0 0 0 0 0999 V2000 -2.9090 -2.6432 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 -1.2340 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1483 -0.2985 0.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -1.0509 -0.0998 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 0.2109 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 1.4241 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 2.6356 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0011 3.9339 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 2.6371 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 1.4160 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 0.2130 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 -1.0029 -0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 -1.5479 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 -2.8405 0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0643 -0.9126 1.7582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -3.3871 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -2.7885 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -2.6708 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -1.9336 -0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 1.4920 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 3.7477 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 4.5091 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8883 4.5223 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5816 3.5863 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 1.4304 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 -3.6688 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 -3.0483 1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 -2.7309 0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 11 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 6 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 14 26 1 0 14 27 1 0 14 28 1 0 M END