Marvin 10300814402D 14 13 0 0 0 0 999 V2000 0.0000 0.8250 0.0000 C 0 0 0 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 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4290 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 O 0 5 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 O 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 C 0 0 0 0 0 0 0 0 0 0 0 0 4 13 1 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 5 4 2 0 0 0 0 6 4 1 0 0 0 0 8 7 2 0 0 0 0 10 8 1 0 0 0 0 8 9 1 0 0 0 0 11 10 1 0 0 0 0 13 11 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 M CHG 3 3 -1 6 -1 9 -1 M END > CHEBI:15598 > 2-methylcitrate(3-) > A tricarboxylic acid trianion that is the conjugate base of 2-methylcitric acid. > 3 > CHEBI:19630; CHEBI:11592; CHEBI:11618; CHEBI:19695 > 2-Methylcitrate; 2-methylcitrate; 2-Hydroxybutane-1,2,3-tricarboxylate > 2-hydroxybutane-1,2,3-tricarboxylate > C7H7O7 > 203.12628 > 203.02082 > -3 > CC(C([O-])=O)C(O)(CC([O-])=O)C([O-])=O > InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3 > YNOXCRMFGMSKIJ-UHFFFAOYSA-K > C02225 $$$$