ChEBI Marvin 04291016282D 11 11 0 0 1 0 999 V2000 5.4788 -3.4188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2067 -3.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 -4.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -5.0506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7811 -4.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 -2.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1614 -2.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 -2.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5393 -5.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9194 -5.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 6 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 11 3 2 0 0 0 0 5 4 1 0 0 0 0 4 10 1 1 0 0 0 6 5 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 M END > CHEBI:15567 > (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid > 3 > CHEBI:10832; CHEBI:167; CHEBI:18518 > (1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate; (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate > (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid > C7H10O4; C7H10O4 > 158.15190 > 158.05791 > 0 > O[C@H]1CC[C@@H](CC1=O)C(O)=O > InChI=1S/C7H10O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-5,8H,1-3H2,(H,10,11)/t4-,5-/m0/s1 > BYPXGAVDTZXOLE-WHFBIAKZSA-N > C04670 $$$$