Mrv1533005141521452D 17 18 0 0 0 0 999 V2000 -2.2208 0.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 1.0240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 0.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 -0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 -1.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9501 -1.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 -0.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2472 0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4201 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -0.3805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1523 0.0320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4378 -1.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 0.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 1 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 11 17 2 0 0 0 0 M CHG 1 15 -1 M END > NP0339908 > NP-MRD > [O-]C(=O)CNC(=O)CC1=CNC2=C1C=CC=C2 > InChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)/p-1 > YDXXLJMIHMIOIF-UHFFFAOYSA-M > C12H11N2O3 > 231.232 > 231.077515802 > 3 > 28 > 22.76349586141108 > 1 > 2 > -1 > 1 > 2-[2-(1H-indol-3-yl)acetamido]acetate > 0.80 > 0.6044728586666668 > -2.70 > 0 > 2 > -1 > 15.58411739863908 > 4.035278644955276 > -2.9835003881894058 > 85.01999999999998 > 72.0927 > 4 > 1 > 4.96e-01 g/l > 2-[2-(1H-indol-3-yl)acetamido]acetate > 0 > NP0339908 > indole-3-acetyl-glycine $$$$