PCIDB

KNApSAcK Metabolite C00002676

Metabolite

KNApSAcK Entry

id C00002676
Name Theogallin / 3-O-Galloylquinic acid
CAS RN 17365-11-6
Standard InChI InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1
Standard InChI (Main Layer) InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)

Cluster

Phytochemical cluster
KCF-S cluster No. 7336

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C10834

CTD

By CAS RN