PCIDB

KNApSAcK Metabolite C00029540

Metabolite

KNApSAcK Entry

id C00029540
Name 4-Caffeoylquinic acid / 4-O-Caffeoylquinic acid
CAS RN 905-99-7
Standard InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1
rosids 1

Family

family name count
Asteraceae 1
Rosaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eriobotrya japonica 32224 Rosaceae rosids Viridiplantae
Solidago altissima L. 59293 Asteraceae asterids Viridiplantae