(2R,3R)-2-(3,4-Dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Properties Image MNX_ID MNXM117196 reference chebi:185582 formula C44H34O20 global charge 0 mol weight 882.736 InChIKey LFBGVECYPPCVDS-QNPRKUGLSA-N InChI InChI=1S/C44H34O20/c45-19-11-25(50)34-32(12-19)62-41(16-2-4-22(47)24(49)6-16)42(64-44(60)18-9-29(54)39(58)30(55)10-18)36(34)35-26(51)14-31-20(37(35)56)13-33(40(61-31)15-1-3-21(46)23(48)5-15)63-43(59)17-7-27(52)38(57)28(53)8-17/h1-12,14,33,36,40-42,45-58H,13H2/t33-,36-,40-,41-,42-/m1/s1 SMILES O=C(O[C@@H]1[C@@H](C2=C(O)C3=C(C=C2O)O[C@H](C2=CC(O)=C(O)C=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)C3)C2=C(C=C(O)C=C2O)O[C@@H]1C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C44H34O20/c45-19-11-25(50)34-32(12-19)62-41(16-2-4-22(47)24(49)6-16)42(64-44(60)18-9-29(54)39(58)30(55)10-18)36(34)35-26(51)14-31-20(37(35)56)13-33(40(61-31)15-1-3-21(46)23(48)5-15)63-43(59)17-7-27(52)38(57)28(53)8-17/h1-12,14,33,36,40-42,45-58H,13H2/t33-,36-,40-,41-,42-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:21]([OH:46])=[C:23]([OH:48])[CH:5]=[C:15]1[C@@H:40]1[C@H:33]([O:63][C:43]([C:17]2=[CH:7][C:27]([OH:52])=[C:38]([OH:57])[C:28]([OH:53])=[CH:8]2)=[O:59])[CH2:13][C:20]2=[C:37]([OH:56])[C:35]([C@H:36]3[C:34]4=[C:25]([OH:50])[CH:11]=[C:19]([OH:45])[CH:12]=[C:32]4[O:62][C@H:41]([C:16]4=[CH:6][C:24]([OH:49])=[C:22]([OH:47])[CH:4]=[CH:2]4)[C@@H:42]3[O:64][C:44]([C:18]3=[CH:9][C:29]([OH:54])=[C:39]([OH:58])[C:30]([OH:55])=[CH:10]3)=[O:60])=[C:26]([OH:51])[CH:14]=[C:31]2[O:61]1

Parent-child relations graph

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