PCIDB

KNApSAcK Metabolite C00014776

Metabolite

KNApSAcK Entry

id C00014776
Name Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside
CAS RN 215176-96-8
Standard InChI InChI=1S/C45H48O27/c46-13-27-33(55)36(58)40(62)44(70-27)68-25-8-17(3-5-21(25)48)42-26(69-45-41(63)38(60)35(57)29(72-45)15-65-32(54)12-30(51)52)11-19-22(49)9-18(10-24(19)67-42)66-43-39(61)37(59)34(56)28(71-43)14-64-31(53)6-2-16-1-4-20(47)23(50)7-16/h1-11,27-29,33-41,43-46,55-63H,12-15H2,(H4-,47,48,49,50,51,52,53)/p+1/t27?,28?,29?,33-,34-,35-,36+,37+,38+,39?,40?,41?,43-,44-,45-/m1/s1
Standard InChI (Main Layer) InChI=1S/C45H48O27/c46-13-27-33(55)36(58)40(62)44(70-27)68-25-8-17(3-5-21(25)48)42-26(69-45-41(63)38(60)35(57)29(72-45)15-65-32(54)12-30(51)52)11-19-22(49)9-18(10-24(19)67-42)66-43-39(61)37(59)34(56)28(71-43)14-64-31(53)6-2-16-1-4-20(47)23(50)7-16/h1-11,27-29,33-41,43-46,55-63H,12-15H2,(H4-,47,48,49,50,51,52,53)

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
Liliopsida 1

Family

family name count
Orchidaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Sophronitis coccinea 123205 Orchidaceae Liliopsida Viridiplantae