PCIDB

KNApSAcK Metabolite C00005900

Metabolite

KNApSAcK Entry

id C00005900
Name Kaempferol 3-glucosyl-(1->4)(6'''-sinapylglucosyl)(1->2)-galactoside
CAS RN 168781-60-0
Standard InChI InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)62-15-26-39(67-42-36(58)33(55)30(52)24(13-45)64-42)35(57)37(59)43(66-26)69-41-34(56)31(53)25(14-46)65-44(41)68-40-32(54)28-20(49)11-19(48)12-21(28)63-38(40)17-4-6-18(47)7-5-17/h3-12,24-26,30-31,33-37,39,41-49,51-53,55-59H,13-15H2,1-2H3/b8-3+/t24?,25?,26?,30-,31+,33?,34?,35?,36-,37?,39-,41-,42+,43+,44+/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)62-15-26-39(67-42-36(58)33(55)30(52)24(13-45)64-42)35(57)37(59)43(66-26)69-41-34(56)31(53)25(14-46)65-44(41)68-40-32(54)28-20(49)11-19(48)12-21(28)63-38(40)17-4-6-18(47)7-5-17/h3-12,24-26,30-31,33-37,39,41-49,51-53,55-59H,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
asterids 1

Family

family name count
Apocynaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Thevetia peruviana 52862 Apocynaceae asterids Viridiplantae