Mrv2104 05272302092D 13 12 0 0 0 0 999 V2000 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 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 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 2.6664 0.0000 N 0 3 0 0 0 1 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 5 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 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M CHG 2 10 1 12 -1 M RAD 1 10 2 M END > NP0339801 > NP-MRD > CC(=O)C(O)C(O)CC([N+])C([O-])=O > InChI=1/C7H11NO5/c1-3(9)6(11)5(10)2-4(8)7(12)13/h4-6,10-11H,2H2,1H3,(H,12,13)/q+1/p-1 > DYIXWHPDZOAXTE-UHFFFAOYNA-M > C7H10NO5 > 188.159 > 188.055897426 > 5 > 23 > 16.84381218314352 > 1 > 2 > 0 > 0 > (1-carboxylato-3,4-dihydroxy-5-oxohexyl)azaniumyl > -3.0687180598759456 > 0 > 0 > 0 > 12.418248862425108 > 2.708216190645179 > -3.336477774189911 > 120.72 > 51.5649 > 5 > 1 > (1-carboxylato-3,4-dihydroxy-5-oxohexyl)ammonio > 0 > NP0339801 > 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate $$$$