Mrv0541 02231217282D 13 12 0 0 1 0 999 V2000 4.6184 2.6664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.8414 0.0000 Be 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 2.2539 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 2.5559 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M END > DB04156 > drugbank > N[C@@H](C[C@H](O)O[Be](F)(F)F)C(O)=O > InChI=1S/C4H8NO4.Be.3FH/c5-2(4(8)9)1-3(6)7;;;;/h2-3,6H,1,5H2,(H,8,9);;3*1H/q-1;+4;;;/p-3/t2-,3+;;;;/m0..../s1 > InChIKey=HSAVTCVIBRBWGG-VKZMHLLXSA-K > 5 > 15.128435826833837 > 1 > 3 > 200.052724499 > 0 > C4H8BeF3NO4 > 0 > (2S,4R)-2-amino-4-hydroxy-4-[(trifluoroberyllio)oxy]butanoic acid > -1.46 > -2.823928828309938 > -2.87 > 200.118 > 0 > 0 > 0 > 12.237618184410621 > 1.2884485248849367 > 9.077091713732056 > 92.78 > 30.812200000000004 > 5 > 1 > 2.72e-01 g/l > (2S,4R)-2-amino-4-hydroxy-4-[(trifluoroberyllio)oxy]butanoic acid > 0 > DB04156 > experimental > Aspartate Beryllium Trifluoride $$$$