compound 0098977

Properties Image MNX_ID MNXM1180660 reference envipathM:...cb74b3b62373 formula C15H15O7 global charge -3 mol weight 307.278 InChIKey CUMMMQHOBJZRSZ-UHFFFAOYSA-K InChI InChI=1S/C15H18O7/c1-14(2,12(19)20)8-5-7(11(17)18)6-9(10(8)16)15(3,4)13(21)22/h5-6,16H,1-4H3,(H,17,18)(H,19,20)(H,21,22)/p-3 SMILES CC(C)(C(=O)[O-])C1=CC(C(=O)[O-])=CC(C(C)(C)C(=O)[O-])=C1O MNX internals InChI (mnx) InChI=1/C15H18O7/c1-14(2,12(19)20)8-5-7(11(17)18)6-9(10(8)16)15(3,4)13(21)22/h5-6,16H,1-4H3,(H,17,18)(H,19,20)(H,21,22) SMILES (mnx) [CH3:1][C:14]([CH3:2])([C:8]1=[C:10]([OH:16])[C:9]([C:15]([CH3:3])([CH3:4])[C:13](=[O:21])[OH:22])=[CH:6][C:7]([C:11](=[O:17])[OH:18])=[CH:5]1)[C:12](=[O:19])[OH:20]

Parent-child relations graph

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