PCIDB

KNApSAcK Metabolite C00006830

Metabolite

KNApSAcK Entry

id C00006830
Name Cyanidin 3-(6''-malonylglucoside-3'-(6'''-caffeylglucoside)
CAS RN 150447-30-6
Standard InChI InChI=1S/C39H38O22/c40-17-9-21(43)18-11-25(59-39-36(54)34(52)32(50)27(61-39)14-56-30(48)12-28(45)46)37(57-23(18)10-17)16-3-5-20(42)24(8-16)58-38-35(53)33(51)31(49)26(60-38)13-55-29(47)6-2-15-1-4-19(41)22(44)7-15/h1-11,26-27,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,47)/p+1/t26-,27?,31+,32+,33?,34?,35?,36?,38+,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H38O22/c40-17-9-21(43)18-11-25(59-39-36(54)34(52)32(50)27(61-39)14-56-30(48)12-28(45)46)37(57-23(18)10-17)16-3-5-20(42)24(8-16)58-38-35(53)33(51)31(49)26(60-38)13-55-29(47)6-2-15-1-4-19(41)22(44)7-15/h1-11,26-27,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,47)

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Senecio cruentus 98709 Asteraceae asterids Viridiplantae