compound 0074620

Properties Image MNX_ID MNXM1172803 reference envipathM:...b88355220991 formula C11H13O5 global charge -1 mol weight 225.22 InChIKey NWDYIDAMEQRJIA-UHFFFAOYSA-M InChI InChI=1S/C11H14O5/c1-2-11(16,10(14)15)6-7-3-4-8(12)9(13)5-7/h3-5,12-13,16H,2,6H2,1H3,(H,14,15)/p-1 SMILES CCC(O)(CC1=CC=C(O)C(O)=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H14O5/c1-2-11(16,10(14)15)6-7-3-4-8(12)9(13)5-7/h3-5,12-13,16H,2,6H2,1H3,(H,14,15)/t11? SMILES (mnx) [CH3:1][CH2:2][C:11]([CH2:6][C:7]1=[CH:5][C:9]([OH:13])=[C:8]([OH:12])[CH:4]=[CH:3]1)([C:10](=[O:14])[OH:15])[OH:16]

Parent-child relations graph

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