PCIDB

KNApSAcK Metabolite C00044825

Metabolite

KNApSAcK Entry

id C00044825
Name Isoscutellarein 8-O-beta-D-glucuronide 6''-methyl ester
CAS RN 636589-22-5
Standard InChI InChI=1S/C22H20O12/c1-31-21(30)20-16(28)15(27)17(29)22(34-20)33-18-12(26)6-10(24)14-11(25)7-13(32-19(14)18)8-2-4-9(23)5-3-8/h2-7,15-17,20,22-24,26-29H,1H3/t15-,16-,17+,20-,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H20O12/c1-31-21(30)20-16(28)15(27)17(29)22(34-20)33-18-12(26)6-10(24)14-11(25)7-13(32-19(14)18)8-2-4-9(23)5-3-8/h2-7,15-17,20,22-24,26-29H,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 2

Link

ChEMBL

By standard InChI CHEMBL467412
By standard InChI Main Layer CHEMBL467412

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Malvaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Theobroma grandiflorum 108881 Malvaceae rosids Viridiplantae