PCIDB

KNApSAcK Metabolite C00048041

Metabolite

KNApSAcK Entry

id C00048041
Name Paeonidanin E / (-)-Paeonidanin E
CAS RN 1181222-83-2
Standard InChI InChI=1S/C46H54O21/c1-40-14-24(48)23-13-45(40,63-36-32(53)30(51)28(49)25(16-47)61-36)42(23,19-59-34(55)21-9-5-3-6-10-21)38(65-40)58-17-26-29(50)31(52)33(54)37(62-26)64-46-15-27-43(46,20-60-35(56)22-11-7-4-8-12-22)39-66-41(46,2)18-44(27,57)67-39/h3-12,23,25-33,36-39,47,49-54,57H,13-20H2,1-2H3/t23-,25+,26+,27+,28+,29+,30-,31-,32+,33+,36-,37-,38-,39+,40?,41-,42?,43-,44+,45?,46?/m0/s1
Standard InChI (Main Layer) InChI=1S/C46H54O21/c1-40-14-24(48)23-13-45(40,63-36-32(53)30(51)28(49)25(16-47)61-36)42(23,19-59-34(55)21-9-5-3-6-10-21)38(65-40)58-17-26-29(50)31(52)33(54)37(62-26)64-46-15-27-43(46,20-60-35(56)22-11-7-4-8-12-22)39-66-41(46,2)18-44(27,57)67-39/h3-12,23,25-33,36-39,47,49-54,57H,13-20H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5019

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1078416

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Paeoniaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Paeonia albiflora 35924 Paeoniaceae eudicotyledons Viridiplantae