Ketcher 02052111362D 1 1.00000 0.00000 0 13 12 0 0 0 999 V2000 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -0.5000 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 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 11 1 0 0 0 2 1 2 0 0 0 3 1 1 0 0 0 5 4 2 0 0 0 6 4 1 0 0 0 8 7 2 0 0 0 10 8 1 0 0 0 8 9 1 0 0 0 12 10 1 0 0 0 11 12 1 0 0 0 1 12 1 0 0 0 12 13 1 0 0 0 M END > CHEBI:30769 > citric acid > A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. > 3 > CHEBI:41523; CHEBI:3727; CHEBI:23322 > H3cit; E330; Citronensaeure; CITRIC ACID; Citric acid; 3-Carboxy-3-hydroxypentane-1,5-dioic acid; 2-Hydroxytricarballylic acid; 2-Hydroxy-1,2,3-propanetricarboxylic acid > 2-hydroxypropane-1,2,3-tricarboxylic acid > C6H8O7 > 192.123 > 192.02700 > 0 > OC(=O)CC(O)(CC(O)=O)C(O)=O > InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) > KRKNYBCHXYNGOX-UHFFFAOYSA-N > 782061 > 77-92-9 > 4240 > 782061 > 77-92-9 > DB04272 > C00158 > D00037 > C00007619 > CIT > 77-92-9 > CIT > Citric_Acid > 11762832; 11782123; 11857437; 14537820; 15311880; 15934243; 16232627; 17190852; 17357118; 17604395; 18298573; 18960216; 19288211; 22115968; 22192423; 22264346; 22373571; 22509852 $$$$