Quercetin 3-glucoside 7-xyloside

Properties Image MNX_ID MNXM130153 reference chebi:176247 formula C26H28O16 global charge 0 mol weight 596.494 InChIKey PSTSYYSBVQVSOG-UHFFFAOYSA-N InChI InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)42-24-19(34)16-12(30)4-9(39-25-21(36)17(32)13(31)7-38-25)5-14(16)40-23(24)8-1-2-10(28)11(29)3-8/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 SMILES O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=CC(OC1OCC(O)C(O)C1O)=C2 MNX internals InChI (mnx) InChI=1/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)42-24-19(34)16-12(30)4-9(39-25-21(36)17(32)13(31)7-38-25)5-14(16)40-23(24)8-1-2-10(28)11(29)3-8/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13?,15?,17?,18?,20?,21?,22?,25?,26? SMILES (mnx) [CH:1]1=[CH:2][C:10]([OH:28])=[C:11]([OH:29])[CH:3]=[C:8]1[C:23]1=[C:24]([O:42][CH:26]2[CH:22]([OH:37])[CH:20]([OH:35])[CH:18]([OH:33])[CH:15]([CH2:6][OH:27])[O:41]2)[C:19](=[O:34])[C:16]2=[C:12]([OH:30])[CH:4]=[C:9]([O:39][CH:25]3[CH:21]([OH:36])[CH:17]([OH:32])[CH:13]([OH:31])[CH2:7][O:38]3)[CH:5]=[C:14]2[O:40]1

Parent-child relations graph

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