PCIDB

KNApSAcK Metabolite C00006897

Metabolite

KNApSAcK Entry

id C00006897
Name Petunidin 3-(4'''-p-coumarylrutinoside)
CAS RN 69896-02-2
Standard InChI InChI=1S/C37H38O18/c1-15-34(55-27(42)8-5-16-3-6-18(38)7-4-16)31(46)33(48)36(51-15)50-14-26-29(44)30(45)32(47)37(54-26)53-25-13-20-21(40)11-19(39)12-23(20)52-35(25)17-9-22(41)28(43)24(10-17)49-2/h3-13,15,26,29-34,36-37,44-48H,14H2,1-2H3,(H4-,38,39,40,41,42,43)/p+1/t15?,26?,29-,30?,31-,32?,33?,34+,36-,37-/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H38O18/c1-15-34(55-27(42)8-5-16-3-6-18(38)7-4-16)31(46)33(48)36(51-15)50-14-26-29(44)30(45)32(47)37(54-26)53-25-13-20-21(40)11-19(39)12-23(20)52-35(25)17-9-22(41)28(43)24(10-17)49-2/h3-13,15,26,29-34,36-37,44-48H,14H2,1-2H3,(H4-,38,39,40,41,42,43)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1
asterids 1

Family

family name count
Iridaceae 1
Solanaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Iris spp. 26339 Iridaceae Liliopsida Viridiplantae
Solanum tuberosum 4113 Solanaceae asterids Viridiplantae