PCIDB

KNApSAcK Metabolite C00013623

Metabolite

KNApSAcK Entry

id C00013623
Name Apigenin 7-glucuronide-4'-(2'''-E-p-coumaroylglucuronosyl)-(1->2)-glucuronide / 4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid
CAS RN 365971-57-9
Standard InChI InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(46)63-35-29(51)27(49)34(39(58)59)66-42(35)67-36-30(52)28(50)33(38(56)57)65-41(36)60-17-8-4-15(5-9-17)21-13-20(45)24-19(44)11-18(12-22(24)62-21)61-40-31(53)25(47)26(48)32(64-40)37(54)55/h1-13,25-36,40-44,47-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+/t25-,26-,27-,28-,29-,30-,31?,32?,33?,34?,35?,36?,40+,41+,42-/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(46)63-35-29(51)27(49)34(39(58)59)66-42(35)67-36-30(52)28(50)33(38(56)57)65-41(36)60-17-8-4-15(5-9-17)21-13-20(45)24-19(44)11-18(12-22(24)62-21)61-40-31(53)25(47)26(48)32(64-40)37(54)55/h1-13,25-36,40-44,47-53H,(H,54,55)(H,56,57)(H,58,59)

Cluster

Phytochemical cluster
KCF-S cluster No. 1576

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Medicago sativa 3879 Fabaceae rosids Viridiplantae