Metabolite

KNApSAcK Entry

id C00013711
Name Isoetin 4'-glucuronide / 4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,5-dihydroxyphenyl beta-D-glucopyranosiduronic acid
CAS RN 163891-92-7
Standard InChI InChI=1S/C21H18O13/c22-6-1-10(25)15-11(26)5-12(32-14(15)2-6)7-3-9(24)13(4-8(7)23)33-21-18(29)16(27)17(28)19(34-21)20(30)31/h1-5,16-19,21-25,27-29H,(H,30,31)/t16?,17-,18?,19-,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H18O13/c22-6-1-10(25)15-11(26)5-12(32-14(15)2-6)7-3-9(24)13(4-8(7)23)33-21-18(29)16(27)17(28)19(34-21)20(30)31/h1-5,16-19,21-25,27-29H,(H,30,31)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Ranunculaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Adonis aleppica 46984 Ranunculaceae eudicotyledons Viridiplantae