compound 0076203

Properties Image MNX_ID MNXM1179816 reference envipathM:...b3d5beb60c8f formula C13H14O7 global charge 0 mol weight 282.248 InChIKey BRYCUERTFGNUDM-UHFFFAOYSA-N InChI InChI=1S/C13H14O7/c14-7-2-1-5(4-8(7)15)3-6-9(16)11(18)13(20)12(19)10(6)17/h1-2,4,6,9,11-12,14-16,18-19H,3H2 SMILES O=C1C(O)C(=O)C(CC2=CC=C(O)C(O)=C2)C(O)C1O MNX internals InChI (mnx) InChI=1/C13H14O7/c14-7-2-1-5(4-8(7)15)3-6-9(16)11(18)13(20)12(19)10(6)17/h1-2,4,6,9,11-12,14-16,18-19H,3H2/t6?,9?,11?,12? SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:14])=[C:8]([OH:15])[CH:4]=[C:5]1[CH2:3][CH:6]1[CH:9]([OH:16])[CH:11]([OH:18])[C:13](=[O:20])[CH:12]([OH:19])[C:10]1=[O:17]

Parent-child relations graph

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