compound 0285455

Properties Image MNX_ID MNXM1174409 reference envipathM:...c6c68ad7ede2 formula C13H16O4 global charge 0 mol weight 236.267 InChIKey DKOIYOIEEIPLFP-UHFFFAOYSA-N InChI InChI=1S/C13H16O4/c14-8-11-12(16)5-2-6-13(11,17)9-3-1-4-10(15)7-9/h1,3-4,7-8,11-12,15-17H,2,5-6H2 SMILES O=CC1C(O)CCCC1(O)C1=CC=CC(O)=C1 MNX internals InChI (mnx) InChI=1/C13H16O4/c14-8-11-12(16)5-2-6-13(11,17)9-3-1-4-10(15)7-9/h1,3-4,7-8,11-12,15-17H,2,5-6H2/t11?,12?,13? SMILES (mnx) [CH:1]1=[CH:3][C:9]([C:13]2([OH:17])[CH2:6][CH2:2][CH2:5][CH:12]([OH:16])[CH:11]2[CH:8]=[O:14])=[CH:7][C:10]([OH:15])=[CH:4]1

Parent-child relations graph

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