PCIDB

KNApSAcK Metabolite C00029511

Metabolite

KNApSAcK Entry

id C00029511
Name 3-O-Coumaroylquinic acid / 3-O-p-Coumaroyl quinic acid
CAS RN 1899-30-5
Standard InChI InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL284243
By standard InChI Main Layer CHEMBL284243

KEGG

By LinkDB C12208

CTD

By CAS RN