PCIDB

KNApSAcK Metabolite C00005963

Metabolite

KNApSAcK Entry

id C00005963
Name Quercetin 3-(3'',6''-di-p-coumarylglucoside)
CAS RN 72691-78-2
Standard InChI InChI=1S/C39H32O16/c40-22-8-1-19(2-9-22)5-13-30(46)51-18-29-33(48)37(54-31(47)14-6-20-3-10-23(41)11-4-20)35(50)39(53-29)55-38-34(49)32-27(45)16-24(42)17-28(32)52-36(38)21-7-12-25(43)26(44)15-21/h1-17,29,33,35,37,39-45,48,50H,18H2/b13-5+,14-6+/t29-,33-,35?,37?,39+/m1/s1
Standard InChI (Main Layer) InChI=1S/C39H32O16/c40-22-8-1-19(2-9-22)5-13-30(46)51-18-29-33(48)37(54-31(47)14-6-20-3-10-23(41)11-4-20)35(50)39(53-29)55-38-34(49)32-27(45)16-24(42)17-28(32)52-36(38)21-7-12-25(43)26(44)15-21/h1-17,29,33,35,37,39-45,48,50H,18H2

Cluster

Phytochemical cluster
KCF-S cluster No. 231

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Spermatophyta 1

Family

family name count
Pinaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pinus sylvestris 3349 Pinaceae Spermatophyta Viridiplantae