PCIDB

KNApSAcK Metabolite C00010235

Metabolite

KNApSAcK Entry

id C00010235
Name 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside
CAS RN 116310-58-8
Standard InChI InChI=1S/C22H22O11/c1-30-10-5-14-18(11(7-17(26)31-14)9-2-3-12(24)13(25)4-9)15(6-10)32-22-21(29)20(28)19(27)16(8-23)33-22/h2-7,16,19-25,27-29H,8H2,1H3/t16?,19-,20+,21?,22-/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H22O11/c1-30-10-5-14-18(11(7-17(26)31-14)9-2-3-12(24)13(25)4-9)15(6-10)32-22-21(29)20(28)19(27)16(8-23)33-22/h2-7,16,19-25,27-29H,8H2,1H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL463401 CHEMBL486221

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Rubiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Coutarea hexandra 85718 Rubiaceae asterids Viridiplantae
Exostema caribaeum 43485 Rubiaceae asterids Viridiplantae