PCIDB

KNApSAcK Metabolite C00002720

Metabolite

KNApSAcK Entry

id C00002720
Name 5-O-Caffeoylshikimic acid
CAS RN 73263-62-4
Standard InChI InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)

Cluster

Phytochemical cluster No. 6
KCF-S cluster No. 5859

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C10434

CTD

By CAS RN C036792