PCIDB

KNApSAcK Metabolite C00014777

Metabolite

KNApSAcK Entry

id C00014777
Name Cyanidin 3-(6''-dioxalylglucoside)
CAS RN 398454-26-7
Standard InChI InChI=1S/C25H20O17/c26-9-4-12(28)10-6-15(20(39-14(10)5-9)8-1-2-11(27)13(29)3-8)40-25-19(32)18(31)17(30)16(41-25)7-38-23(36)24(37)42-22(35)21(33)34/h1-6,16-19,25,30-32H,7H2,(H4-,26,27,28,29,33,34,36,37)/p+1/t16?,17-,18+,19?,25-/m1/s1
Standard InChI (Main Layer) InChI=1S/C25H20O17/c26-9-4-12(28)10-6-15(20(39-14(10)5-9)8-1-2-11(27)13(29)3-8)40-25-19(32)18(31)17(30)16(41-25)7-38-23(36)24(37)42-22(35)21(33)34/h1-6,16-19,25,30-32H,7H2,(H4-,26,27,28,29,33,34,36,37)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 2

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rosaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rubus laciniatus 23216 Rosaceae rosids Viridiplantae