PCIDB

KNApSAcK Metabolite C00004339

Metabolite

KNApSAcK Entry

id C00004339
Name Chrysoeriol 7-O-glucuronide / 5,7,4'-Trihydroxy-3'-methoxyflavone / Luteolin 3'-methyl ether 7-glucuronide
CAS RN 29741-07-9
Standard InChI InChI=1S/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19?,20?,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 2

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL519735

KEGG

By LinkDB

CTD

By CAS RN