3'-(2''-Galloylglucosyl)-phloroacetophenone

Properties Image MNX_ID MNXM117151 reference chebi:168634 formula C21H22O13 global charge 0 mol weight 482.394 InChIKey ABXKUABLJLHDAO-UHFFFAOYSA-N InChI InChI=1S/C21H22O13/c1-6(23)13-8(24)4-9(25)14(17(13)30)19-20(18(31)16(29)12(5-22)33-19)34-21(32)7-2-10(26)15(28)11(27)3-7/h2-4,12,16,18-20,22,24-31H,5H2,1H3 SMILES CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O MNX internals InChI (mnx) InChI=1/C21H22O13/c1-6(23)13-8(24)4-9(25)14(17(13)30)19-20(18(31)16(29)12(5-22)33-19)34-21(32)7-2-10(26)15(28)11(27)3-7/h2-4,12,16,18-20,22,24-31H,5H2,1H3/t12?,16?,18?,19?,20? SMILES (mnx) [CH3:1][C:6]([C:13]1=[C:17]([OH:30])[C:14]([CH:19]2[CH:20]([O:34][C:21]([C:7]3=[CH:2][C:10]([OH:26])=[C:15]([OH:28])[C:11]([OH:27])=[CH:3]3)=[O:32])[CH:18]([OH:31])[CH:16]([OH:29])[CH:12]([CH2:5][OH:22])[O:33]2)=[C:9]([OH:25])[CH:4]=[C:8]1[OH:24])=[O:23]

Parent-child relations graph

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