Mrv1652304282200012D 13 13 0 0 1 0 999 V2000 0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 1 5 1 6 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 M END > NP0050681 > NP-MRD > N[C@@H](CC1=NC(N)=NC=C1)C(O)=O > InChI=1S/C7H10N4O2/c8-5(6(12)13)3-4-1-2-10-7(9)11-4/h1-2,5H,3,8H2,(H,12,13)(H2,9,10,11)/t5-/m0/s1 > LIRGSTWGMWYHBN-YFKPBYRVSA-N > C7H10N4O2 > 182.183 > 182.080375578 > 6 > 23 > 17.37839564351105 > 1 > 3 > 0 > 0 > (2S)-2-amino-3-(2-aminopyrimidin-4-yl)propanoic acid > -2.75 > -3.2311748979386774 > -0.85 > 0 > 1 > 0 > 16.53903529686983 > 0.899981484351815 > 9.249547494343721 > 115.11999999999999 > 45.8492 > 3 > 1 > 2.57e+01 g/l > (2S)-2-amino-3-(2-aminopyrimidin-4-yl)propanoic acid > 0 > NP0050681 > L-Lathyrine $$$$