compound 0074420

Properties Image MNX_ID MNXM1138033 reference envipathM:...fc4d0fbcef31 formula C11H13O5 global charge -1 mol weight 225.22 InChIKey OMEFNNXOPKNQPP-UHFFFAOYSA-M InChI InChI=1S/C11H14O5/c12-8(6-11(15)16)3-1-7-2-4-9(13)10(14)5-7/h2,4-5,8,12-14H,1,3,6H2,(H,15,16)/p-1 SMILES O=C([O-])CC(O)CCC1=CC=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C11H14O5/c12-8(6-11(15)16)3-1-7-2-4-9(13)10(14)5-7/h2,4-5,8,12-14H,1,3,6H2,(H,15,16)/t8? SMILES (mnx) [CH2:1]([CH2:3][CH:8]([CH2:6][C:11](=[O:15])[OH:16])[OH:12])[C:7]1=[CH:5][C:10]([OH:14])=[C:9]([OH:13])[CH:4]=[CH:2]1

Parent-child relations graph

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