Acetylphenylalanine.mol Mrv1652305271900222D 15 15 0 0 0 0 999 V2000 -1.6500 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4125 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 1 11 2 0 0 0 0 1 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 2 13 1 0 0 0 0 M END > FDB022084 > foodb > CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O > InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 > CBQJSKKFNMDLON-JTQLQIEISA-N > C11H13NO3 > 207.2258 > 207.089543287 > 3 > 28 > 21.206590010906925 > 1 > 2 > 0 > 1 > (2S)-2-acetamido-3-phenylpropanoic acid > 1.11 > 0.8964616559999996 > -2.33 > 0 > 1 > -1 > 14.290533824652414 > 4.024367585343858 > -1.9831528879816744 > 66.4 > 54.560100000000006 > 4 > 1 > 9.67e-01 g/l > acetyl-L-phenylalanine > 0 > FDB022084 > N-Acetyl-L-phenylalanine $$$$