compound 0059127

Properties Image MNX_ID MNXM1176074 reference envipathM:...59b968a7ddfa formula C13H14O5 global charge 0 mol weight 250.25 InChIKey OWBVRXIPQQQPER-UHFFFAOYSA-N InChI InChI=1S/C13H14O5/c14-9-5-3-4-8(11(9)16)12(17)13(18)7-2-1-6-10(13)15/h2-5,7,10,14-16,18H,1,6H2 SMILES O=C(C1=CC=CC(O)=C1O)C1(O)C=CCCC1O MNX internals InChI (mnx) InChI=1/C13H14O5/c14-9-5-3-4-8(11(9)16)12(17)13(18)7-2-1-6-10(13)15/h2-5,7,10,14-16,18H,1,6H2/t10?,13? SMILES (mnx) [CH2:1]1[CH:2]=[CH:7][C:13]([C:12]([C:8]2=[C:11]([OH:16])[C:9]([OH:14])=[CH:5][CH:3]=[CH:4]2)=[O:17])([OH:18])[CH:10]([OH:15])[CH2:6]1

Parent-child relations graph

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