PCIDB

KNApSAcK Metabolite C00034186

Metabolite

KNApSAcK Entry

id C00034186
Name Quinoasaponin 1
CAS RN 191480-31-6
Standard InChI InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-39-35(57)33(55)31(53)25(18-48)61-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-36(58)37(32(54)26(19-49)62-40)64-38-34(56)30(52)24(51)20-60-38/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37-,38-,39+,40+,43-,44-,45+,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-39-35(57)33(55)31(53)25(18-48)61-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-36(58)37(32(54)26(19-49)62-40)64-38-34(56)30(52)24(51)20-60-38/h7,23-40,48-58H,8-21H2,1-6H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Amaranthaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Chenopodium quinoa Wild. 3558 Amaranthaceae eudicotyledons Viridiplantae