HMDB0246136 RDKit 3D N-[1-(Hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide 30 30 0 0 0 0 0 0 0 0999 V2000 -4.4300 2.2329 0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2316 1.5040 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 1.8503 -1.4056 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 0.4837 0.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.1649 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -1.6116 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 -2.3169 -0.8163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3075 -0.0658 0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 0.1075 2.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0814 -0.1604 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 -0.2795 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 -0.3639 -1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8212 -0.3292 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1936 -0.3941 -0.6924 N 0 0 0 0 0 4 0 0 0 0 0 0 6.0655 -0.3034 0.1955 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6196 -0.5373 -1.9824 O 0 0 0 0 0 1 0 0 0 0 0 0 3.4352 -0.2101 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.1278 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 2.2480 1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3812 1.7662 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4337 3.2865 -0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0013 0.1929 1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 0.2793 -1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 -1.5676 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 -2.0036 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -2.5482 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.2940 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 -0.4573 -2.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2353 -0.1817 1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 -0.0338 2.4377 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 1 0 6 7 1 0 5 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 2 0 18 10 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 11 27 1 0 12 28 1 0 17 29 1 0 18 30 1 0 M CHG 2 14 1 16 -1 M END