PCIDB

KNApSAcK Metabolite C00014782

Metabolite

KNApSAcK Entry

id C00014782
Name Delphinidin 3,3'-di-glucoside-5-(6-p-coumarylglucoside)
CAS RN 190511-78-5
Standard InChI InChI=1S/C42H46O24/c43-12-25-30(50)33(53)36(56)41(64-25)62-23-8-16(7-20(47)29(23)49)39-24(63-42-37(57)34(54)31(51)26(13-44)65-42)11-19-21(60-39)9-18(46)10-22(19)61-40-38(58)35(55)32(52)27(66-40)14-59-28(48)6-3-15-1-4-17(45)5-2-15/h1-11,25-27,30-38,40-44,50-58H,12-14H2,(H3-,45,46,47,48,49)/p+1/t25?,26?,27?,30-,31-,32-,33+,34+,35+,36?,37?,38?,40-,41-,42-/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H46O24/c43-12-25-30(50)33(53)36(56)41(64-25)62-23-8-16(7-20(47)29(23)49)39-24(63-42-37(57)34(54)31(51)26(13-44)65-42)11-19-21(60-39)9-18(46)10-22(19)61-40-38(58)35(55)32(52)27(66-40)14-59-28(48)6-3-15-1-4-17(45)5-2-15/h1-11,25-27,30-38,40-44,50-58H,12-14H2,(H3-,45,46,47,48,49)

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
asterids 1

Family

family name count
Gentianaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gentiana spp. 21496 Gentianaceae asterids Viridiplantae