PCIDB

KNApSAcK Metabolite C00044753

Metabolite

KNApSAcK Entry

id C00044753
Name Ethyl chlorogenate
CAS RN 37123-66-3
Standard InChI InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m1/s1
Standard InChI (Main Layer) InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3

Cluster

Phytochemical cluster No. 6
KCF-S cluster No. 314

Link

ChEMBL

By standard InChI CHEMBL482232
By standard InChI Main Layer CHEMBL482232

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Adina racemosa 170034 Rubiaceae asterids Viridiplantae