Mrv1652309042200332D 10 9 0 0 1 0 999 V2000 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 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 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8250 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -2.1434 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 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M END > NP0183617 > NP-MRD > CC(C)=CC[C@H](N)C(O)=O > InChI=1S/C7H13NO2/c1-5(2)3-4-6(8)7(9)10/h3,6H,4,8H2,1-2H3,(H,9,10)/t6-/m0/s1 > XRARHOAIGIRUNR-LURJTMIESA-N > C7H13NO2 > 143.186 > 143.094628663 > 3 > 23 > 15.706676568451257 > 1 > 2 > 0 > 0 > (2S)-2-amino-5-methylhex-4-enoic acid > -1.5471329269834684 > 0 > 0 > 0 > 2.7579340793068057 > 9.481759053819376 > 63.32000000000001 > 39.621900000000004 > 3 > 1 > (2S)-2-amino-5-methylhex-4-enoic acid > 0 > NP0183617 > (2s)-2-amino-5-methylhex-4-enoic acid $$$$