PCIDB

KNApSAcK Metabolite C00005464

Metabolite

KNApSAcK Entry

id C00005464
Name Quercetin 3-sophoroside-7-glucoside / 2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
CAS RN 42903-93-5
Standard InChI InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-10-4-13(39)18-14(5-10)50-28(9-1-2-11(37)12(38)3-9)29(22(18)43)54-33-30(25(46)21(42)17(8-36)53-33)55-32-27(48)24(45)20(41)16(7-35)52-32/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2/t15?,16?,17?,19-,20-,21-,23+,24?,25?,26?,27-,30?,31-,32+,33+/m1/s1
Standard InChI (Main Layer) InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-10-4-13(39)18-14(5-10)50-28(9-1-2-11(37)12(38)3-9)29(22(18)43)54-33-30(25(46)21(42)17(8-36)53-33)55-32-27(48)24(45)20(41)16(7-35)52-32/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN