PCIDB

KNApSAcK Metabolite C00006822

Metabolite

KNApSAcK Entry

id C00006822
Name Gentiocyanin A / Cyanidin 3-glucoside-5-(6-caffeoylglucoside)
CAS RN 170663-59-9
Standard InChI InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25?,26?,28-,29-,30?,31+,32?,33?,35-,36-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(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 C16372

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 sp. 21496 Gentianaceae asterids Viridiplantae