PCIDB

KNApSAcK Metabolite C00005443

Metabolite

KNApSAcK Entry

id C00005443
Name Quercetin 3-(6'''-rhamnosylgentiobioside) / Quercetin 3-rhamnosyl-(1->2)[glucosyl-(1->6)-galactoside] / 3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS RN 123493-51-6
Standard InChI InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9?,16?,17?,19-,20+,21-,23?,24-,25?,26?,27-,30?,31+,32-,33-/m0/s1
Standard InChI (Main Layer) InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1
asterids 1

Family

family name count
Capparaceae 1
Solanaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Capparis spinosa 65558 Capparaceae rosids Viridiplantae
Solanum nigrum 4112 Solanaceae asterids Viridiplantae