PCIDB

KNApSAcK Metabolite C00008213

Metabolite

KNApSAcK Entry

id C00008213
Name Prunin 3'',6''-di-p-coumarate
CAS RN 84823-66-5
Standard InChI InChI=1S/C39H34O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-18,30,32,36-43,47-48H,19-20H2/b15-5+,16-6+/t30?,32?,36-,37?,38+,39-/m1/s1
Standard InChI (Main Layer) InChI=1S/C39H34O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-18,30,32,36-43,47-48H,19-20H2

Cluster

Phytochemical cluster
KCF-S cluster No. 231

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1
rosids 1

Family

family name count
Lamiaceae 1
Euphorbiaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Anisomeles ovata 516068 Lamiaceae asterids Viridiplantae
Mabea caudata 316845 Euphorbiaceae rosids Viridiplantae