PCIDB

KNApSAcK Metabolite C00034190

Metabolite

KNApSAcK Entry

id C00034190
Name Quinoasaponin 5
CAS RN 116107-24-5
Standard InChI InChI=1S/C49H78O21/c1-22(54)70-44(2)13-15-49(43(63)69-41-37(61)35(59)32(56)26(19-51)65-41)16-14-47(5)23(24(49)17-44)7-8-29-45(3)11-10-30(46(4,21-53)28(45)9-12-48(29,47)6)67-42-38(62)39(33(57)27(20-52)66-42)68-40-36(60)34(58)31(55)25(18-50)64-40/h7,24-42,50-53,55-62H,8-21H2,1-6H3/t24-,25+,26+,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,44-,45-,46-,47+,48+,49-/m0/s1
Standard InChI (Main Layer) InChI=1S/C49H78O21/c1-22(54)70-44(2)13-15-49(43(63)69-41-37(61)35(59)32(56)26(19-51)65-41)16-14-47(5)23(24(49)17-44)7-8-29-45(3)11-10-30(46(4,21-53)28(45)9-12-48(29,47)6)67-42-38(62)39(33(57)27(20-52)66-42)68-40-36(60)34(58)31(55)25(18-50)64-40/h7,24-42,50-53,55-62H,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