PCIDB

KNApSAcK Metabolite C00005916

Metabolite

KNApSAcK Entry

id C00005916
Name Kaempferol 3-(2'''-sinapylsophoroside)-7-glucoside
CAS RN 82540-86-1 / 112294-86-7
Standard InChI InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)25(14-46)65-43(40)69-41-36(58)32(54)26(15-47)66-44(41)68-39-33(55)28-20(49)11-19(62-42-37(59)34(56)30(52)24(13-45)64-42)12-21(28)63-38(39)17-4-6-18(48)7-5-17/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+/t24-,25?,26?,30+,31+,32+,34?,35?,36-,37?,40?,41?,42+,43-,44-/m0/s1
Standard InChI (Main Layer) InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)25(14-46)65-43(40)69-41-36(58)32(54)26(15-47)66-44(41)68-39-33(55)28-20(49)11-19(62-42-37(59)34(56)30(52)24(13-45)64-42)12-21(28)63-38(39)17-4-6-18(48)7-5-17/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

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
Brassicaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Brassica napus 3708 Brassicaceae rosids Viridiplantae
Brassica oleracea 3712 Brassicaceae rosids Viridiplantae