Ketcher 01122412162D 1 1.00000 0.00000 0 12 11 0 0 0 999 V2000 10.8823 -6.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0174 -6.3322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7472 -6.3322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8823 -7.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1480 -6.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6166 -6.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7472 -8.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0174 -8.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2832 -6.3322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1480 -7.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4814 -6.3322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6166 -7.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 6 12 2 0 0 0 M CHG 1 7 -1 M END > CHEBI:17536 > allantoate > A monocarboxylic acid anion that is the conjugate base of allantoic acid. > 3 > CHEBI:39599; CHEBI:13760; CHEBI:22352 > diureidoacetate; bis[(aminocarbonyl)amino]acetate; bis(carbamoylamino)acetate; allantoate ion; allantoate; 2,2-bis(aminocarbonylamino)ethanoate > bis(carbamoylamino)acetate > C4H7N4O4 > 175.125 > 175.04728 > -1 > NC(=O)NC(NC(N)=O)C([O-])=O > InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1 > NUCLJNSWZCHRKL-UHFFFAOYSA-M > C00499 > ALLANTOATE > 1AL $$$$