ChEBI 13 13 0 0 1 0 0 0 0 0 2 V2000 13.2299 -13.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5989 -12.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8782 -13.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5817 -13.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8472 -12.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3472 -12.7217 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.2196 -12.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8782 -14.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5817 -14.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2299 -14.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5230 -14.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9299 -14.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2230 -15.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 6 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 1 0 0 0 9 12 1 6 0 0 0 10 13 1 6 0 0 0 9 10 1 0 0 0 0 M CHG 1 6 -1 M END > CHEBI:29751 > (-)-quinate > A quinate that is the conjugate base of (−)-quinic acid. > 3 > CHEBI:15000; CHEBI:26489 > Quinate; L-quinate; (-)-quinate > 1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylate; (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate > C7H11O6 > 191.15864 > 191.05611 > -1 > O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C([O-])=O > InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/p-1/t3-,4-,5-,7+/m1/s1 > AAWZDTNXLSGCEK-WYWMIBKRSA-M > 5029142 > C00296 $$$$