PCIDB

KNApSAcK Metabolite C00006835

Metabolite

KNApSAcK Entry

id C00006835
Name Cyanidin 3-robinobioside-5-(6-p-coumarylglucoside)
CAS RN 151677-00-8
Standard InChI InChI=1S/C42H46O22/c1-16-30(48)33(51)36(54)40(59-16)58-15-28-32(50)35(53)38(56)42(64-28)62-26-13-21-24(60-39(26)18-5-8-22(45)23(46)10-18)11-20(44)12-25(21)61-41-37(55)34(52)31(49)27(63-41)14-57-29(47)9-4-17-2-6-19(43)7-3-17/h2-13,16,27-28,30-38,40-42,48-56H,14-15H2,1H3,(H3-,43,44,45,46,47)/p+1/t16?,27?,28?,30-,31+,32-,33-,34-,35?,36?,37?,38?,40+,41+,42+/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H46O22/c1-16-30(48)33(51)36(54)40(59-16)58-15-28-32(50)35(53)38(56)42(64-28)62-26-13-21-24(60-39(26)18-5-8-22(45)23(46)10-18)11-20(44)12-25(21)61-41-37(55)34(52)31(49)27(63-41)14-57-29(47)9-4-17-2-6-19(43)7-3-17/h2-13,16,27-28,30-38,40-42,48-56H,14-15H2,1H3,(H3-,43,44,45,46,47)

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
Eustoma grandiflorum 52518 Gentianaceae asterids Viridiplantae