2-O-acetyl-3-O-trans-coutarate

Properties Image Occurences in reactions MNX_ID MNXM116932 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C15H12O9 charge -2 mass 336.04923 reference metacycM:CPD-16579 InChIKey AILCSCQIQZTQJR-GPEUJJIWSA-L InChI InChI=1S/C15H14O9/c1-8(16)23-12(14(19)20)13(15(21)22)24-11(18)7-4-9-2-5-10(17)6-3-9/h2-7,12-13,17H,1H3,(H,19,20)(H,21,22)/p-2/b7-4+/t12-,13+/m1/s1 SMILES CC(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph