PCIDB

KNApSAcK Metabolite C00035939

Metabolite

KNApSAcK Entry

id C00035939
Name 3-Ferulylquinic acid / 3-O-Feruloylquinic acid
CAS RN 1899-29-2
Standard InChI InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1
Standard InChI (Main Layer) InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(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

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Angelica furcijuga KITAGAWA 40948 Apiaceae asterids Viridiplantae