PCIDB

KNApSAcK Metabolite C00006810

Metabolite

KNApSAcK Entry

id C00006810
Name Cyanidin 3-(4''-malonyl-2''-glucuronosylglucoside)
CAS RN 138886-96-1
Standard InChI InChI=1S/C30H30O20/c31-8-17-25(48-19(38)7-18(36)37)23(42)27(50-29-22(41)20(39)21(40)26(49-29)28(43)44)30(47-17)46-16-6-11-13(34)4-10(32)5-15(11)45-24(16)9-1-2-12(33)14(35)3-9/h1-6,17,20-23,25-27,29-31,39-42H,7-8H2,(H5-,32,33,34,35,36,37,43,44)/p+1/t17?,20?,21-,22+,23?,25+,26?,27?,29-,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H30O20/c31-8-17-25(48-19(38)7-18(36)37)23(42)27(50-29-22(41)20(39)21(40)26(49-29)28(43)44)30(47-17)46-16-6-11-13(34)4-10(32)5-15(11)45-24(16)9-1-2-12(33)14(35)3-9/h1-6,17,20-23,25-27,29-31,39-42H,7-8H2,(H5-,32,33,34,35,36,37,43,44)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

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
Bellis perennis 41492 Asteraceae asterids Viridiplantae