PCIDB

KNApSAcK Metabolite C00014025

Metabolite

KNApSAcK Entry

id C00014025
Name Pelargonidin 3-(2-(6-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside / Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)
CAS RN 185027-89-8
Standard InChI InChI=1S/C53H56O26/c1-69-33-15-23(3-11-29(33)57)5-13-39(59)71-21-37-42(62)45(65)48(68)52(77-37)79-50-46(66)43(63)38(22-72-40(60)14-6-24-4-12-30(58)34(16-24)70-2)78-53(50)75-35-19-28-31(73-49(35)25-7-9-26(55)10-8-25)17-27(56)18-32(28)74-51-47(67)44(64)41(61)36(20-54)76-51/h3-19,36-38,41-48,50-54,61-68H,20-22H2,1-2H3,(H3-,55,56,57,58,59,60)/p+1/t36?,37?,38?,41-,42-,43-,44+,45+,46+,47?,48?,50?,51-,52+,53-/m1/s1
Standard InChI (Main Layer) InChI=1S/C53H56O26/c1-69-33-15-23(3-11-29(33)57)5-13-39(59)71-21-37-42(62)45(65)48(68)52(77-37)79-50-46(66)43(63)38(22-72-40(60)14-6-24-4-12-30(58)34(16-24)70-2)78-53(50)75-35-19-28-31(73-49(35)25-7-9-26(55)10-8-25)17-27(56)18-32(28)74-51-47(67)44(64)41(61)36(20-54)76-51/h3-19,36-38,41-48,50-54,61-68H,20-22H2,1-2H3,(H3-,55,56,57,58,59,60)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 62

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
Brassicaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Raphanus sativus 3726 Brassicaceae rosids Viridiplantae