isochorismate

Properties Image MNX_ID MNXM799 reference chebi:29780 formula C10H8O6 global charge -2 mol weight 224.168 InChIKey NTGWPRCCOQCMGE-YUMQZZPRSA-L InChI InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m0/s1 SMILES C=C(O[C@H]1C=CC=C(C(=O)[O-])[C@@H]1O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1 SMILES (mnx) [CH2:1]=[C:5]([C:9](=[O:12])[OH:13])[O:16][C@H:7]1[CH:4]=[CH:2][CH:3]=[C:6]([C:10]([OH:14])=[O:15])[C@@H:8]1[OH:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 16 in models (compartimentalized) 13