PCIDB

KNApSAcK Metabolite C00014773

Metabolite

KNApSAcK Entry

id C00014773
Name Cyanidin 3-(3-glucosyl-6-malonylglucoside)-4'-glucoside
CAS RN 651768-27-3
Standard InChI InChI=1S/C36H42O24/c37-8-19-24(45)27(48)29(50)34(57-19)55-16-2-1-11(3-15(16)41)32-18(6-13-14(40)4-12(39)5-17(13)54-32)56-36-31(52)33(26(47)21(59-36)10-53-23(44)7-22(42)43)60-35-30(51)28(49)25(46)20(9-38)58-35/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19?,20?,21?,24-,25-,26-,27+,28+,29?,30?,31?,33+,34-,35+,36-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H42O24/c37-8-19-24(45)27(48)29(50)34(57-19)55-16-2-1-11(3-15(16)41)32-18(6-13-14(40)4-12(39)5-17(13)54-32)56-36-31(52)33(26(47)21(59-36)10-53-23(44)7-22(42)43)60-35-30(51)28(49)25(46)20(9-38)58-35/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

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

Family

family name count
Amaryllidaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Allium cepa 4679 Amaryllidaceae Liliopsida Viridiplantae