PCIDB

KNApSAcK Metabolite C00005972

Metabolite

KNApSAcK Entry

id C00005972
Name Quercetin 3-(6'''-sinapylglucosyl)(1->2)-galactoside
CAS RN 168781-62-2
Standard InChI InChI=1S/C38H40O21/c1-52-21-7-14(8-22(53-2)27(21)45)3-6-25(44)54-13-24-29(47)31(49)33(51)37(57-24)59-36-32(50)28(46)23(12-39)56-38(36)58-35-30(48)26-19(43)10-16(40)11-20(26)55-34(35)15-4-5-17(41)18(42)9-15/h3-11,23-24,28-29,31-33,36-43,45-47,49-51H,12-13H2,1-2H3/b6-3+/t23?,24?,28-,29+,31?,32?,33+,36?,37-,38-/m0/s1
Standard InChI (Main Layer) InChI=1S/C38H40O21/c1-52-21-7-14(8-22(53-2)27(21)45)3-6-25(44)54-13-24-29(47)31(49)33(51)37(57-24)59-36-32(50)28(46)23(12-39)56-38(36)58-35-30(48)26-19(43)10-16(40)11-20(26)55-34(35)15-4-5-17(41)18(42)9-15/h3-11,23-24,28-29,31-33,36-43,45-47,49-51H,12-13H2,1-2H3

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