PCIDB

KNApSAcK Metabolite C00005477

Metabolite

KNApSAcK Entry

id C00005477
Name Quercetin 3-rutinoside-4'-glucoside
CAS RN 89439-59-8
Standard InChI InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-13(37)5-11(35)6-15(18)50-29(30)10-2-3-14(12(36)4-10)51-32-27(46)24(43)20(39)16(7-34)52-32/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9?,16?,17?,19-,20+,21+,23-,24?,25?,26?,27?,28?,31+,32+,33-/m0/s1
Standard InChI (Main Layer) InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-13(37)5-11(35)6-15(18)50-29(30)10-2-3-14(12(36)4-10)51-32-27(46)24(43)20(39)16(7-34)52-32/h2-6,9,16-17,19-21,23-28,31-40,42-47H,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 2

Family

family name count
Geraniaceae 1
Rosaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Erodium spp. 21555 Geraniaceae rosids Viridiplantae
Prunus avium 42229 Rosaceae rosids Viridiplantae