PCIDB

KNApSAcK Metabolite C00005213

Metabolite

KNApSAcK Entry

id C00005213
Name Kaempferol 3-(3G-glucosylneohesperidoside) / Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-glucoside] / 3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS RN 28140-19-4
Standard InChI InChI=1S/C33H40O20/c1-10-19(39)23(43)25(45)31(47-10)53-30-28(51-32-26(46)24(44)20(40)16(8-34)49-32)21(41)17(9-35)50-33(30)52-29-22(42)18-14(38)6-13(37)7-15(18)48-27(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-21,23-26,28,30-41,43-46H,8-9H2,1H3/t10?,16?,17?,19-,20+,21+,23?,24?,25-,26?,28?,30?,31-,32-,33-/m0/s1
Standard InChI (Main Layer) InChI=1S/C33H40O20/c1-10-19(39)23(43)25(45)31(47-10)53-30-28(51-32-26(46)24(44)20(40)16(8-34)49-32)21(41)17(9-35)50-33(30)52-29-22(42)18-14(38)6-13(37)7-15(18)48-27(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-21,23-26,28,30-41,43-46H,8-9H2,1H3

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
asterids 1
rosids 1

Family

family name count
Balsaminaceae 1
Salicaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Impatiens balsamina 63779 Balsaminaceae asterids Viridiplantae
Populus yunnanensis 242124 Salicaceae rosids Viridiplantae