PCIDB

KNApSAcK Metabolite C00005859

Metabolite

KNApSAcK Entry

id C00005859
Name Kaempferol 3-(3'',4''-diacetyl-2'',6''-di-(E)-p-coumarylglucoside)
CAS RN 137018-33-8
Standard InChI InChI=1S/C43H36O17/c1-22(44)55-39-33(21-54-34(51)17-7-24-3-11-27(46)12-4-24)58-43(42(41(39)56-23(2)45)59-35(52)18-8-25-5-13-28(47)14-6-25)60-40-37(53)36-31(50)19-30(49)20-32(36)57-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8+/t33?,39-,41?,42?,43+/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H36O17/c1-22(44)55-39-33(21-54-34(51)17-7-24-3-11-27(46)12-4-24)58-43(42(41(39)56-23(2)45)59-35(52)18-8-25-5-13-28(47)14-6-25)60-40-37(53)36-31(50)19-30(49)20-32(36)57-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 231

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN