3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid

Properties Image MNX_ID MNXM127574 reference chebi:184664 formula C21H14O13 global charge 0 mol weight 474.33 InChIKey QUXNYZHQBWMPNX-UHFFFAOYSA-N InChI InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30) SMILES O=C(O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30) SMILES (mnx) [CH:1]1=[C:7]([C:19](=[O:29])[OH:30])[CH:5]=[C:14]([O:33][C:21]([C:9]2=[CH:4][C:13]([OH:25])=[C:18]([OH:28])[C:15]([O:34][C:20]([C:8]3=[CH:2][C:10]([OH:22])=[C:16]([OH:26])[C:11]([OH:23])=[CH:3]3)=[O:31])=[CH:6]2)=[O:32])[C:17]([OH:27])=[C:12]1[OH:24]

Parent-child relations graph

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