PCIDB

KNApSAcK Metabolite C00048040

Metabolite

KNApSAcK Entry

id C00048040
Name Paeonidanin D / (-)-Paeonidanin D
CAS RN 1181222-82-1
Standard InChI InChI=1S/C47H56O21/c1-42-16-26(49)24-14-46(42,44(24,40(59-3)67-42)20-61-36(57)22-10-6-4-7-11-22)66-39-35(56)33(54)31(52)29(64-39)19-60-41-45(21-62-37(58)23-12-8-5-9-13-23)25-15-47(45,43(2,68-41)17-27(25)50)65-38-34(55)32(53)30(51)28(18-48)63-38/h4-13,24-25,28-35,38-41,48,51-56H,14-21H2,1-3H3/t24-,25-,28+,29+,30+,31+,32-,33-,34+,35+,38-,39-,40-,41-,42?,43?,44?,45?,46?,47?/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H56O21/c1-42-16-26(49)24-14-46(42,44(24,40(59-3)67-42)20-61-36(57)22-10-6-4-7-11-22)66-39-35(56)33(54)31(52)29(64-39)19-60-41-45(21-62-37(58)23-12-8-5-9-13-23)25-15-47(45,43(2,68-41)17-27(25)50)65-38-34(55)32(53)30(51)28(18-48)63-38/h4-13,24-25,28-35,38-41,48,51-56H,14-21H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5019

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1078415

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