Mrv0541 02231216102D 13 13 0 0 1 0 999 V2000 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 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 5 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 3 12 1 0 0 0 0 12 13 1 6 0 0 0 M END > DB02376 > drugbank > OC[C@H]1N\C(=N/O)[C@@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5+/m1/s1 > InChIKey=VBXHGXTYZGYTQG-MBMOQRBOSA-N > 7 > 17.5294682036848 > 1 > 6 > 192.074621504 > 0 > C6H12N2O5 > 0 > (2Z,3R,4S,5R,6R)-2-(hydroxyimino)-6-(hydroxymethyl)piperidine-3,4,5-triol > -2.62 > -3.353854004 > -0.34 > 192.1699 > 0 > 1 > 0 > 12.849060259973339 > 9.566791560363113 > 0.597697252659634 > 125.54 > 40.55029999999999 > 1 > 0 > 8.84e+01 g/l > (2Z,3R,4S,5R,6R)-2-(hydroxyimino)-6-(hydroxymethyl)piperidine-3,4,5-triol > 0 > DB02376 > experimental > D-Gluconhydroximo-1,5-Lactam $$$$