Butyl 3-O-caffeoylquinate

Properties Image MNX_ID MNXM119948 reference chebi:168635 formula C20H26O9 global charge 0 mol weight 410.419 InChIKey VNLREARKISTOAD-ALCCZGGFSA-N InChI InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5- SMILES CCCCOC(=O)C1(O)CC(O)C(O)C(OC(=O)/C=C\C2=CC(O)=C(O)C=C2)C1 MNX internals InChI (mnx) InChI=1/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5-/t15?,16?,18?,20? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:8][O:28][C:19]([C:20]1([OH:27])[CH2:10][CH:15]([OH:23])[CH:18]([OH:25])[CH:16]([O:29][C:17](/[CH:7]=[CH:5]\[C:12]2=[CH:9][C:14]([OH:22])=[C:13]([OH:21])[CH:6]=[CH:4]2)=[O:24])[CH2:11]1)=[O:26]

Parent-child relations graph

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