PCIDB

KNApSAcK Metabolite C00003554

Metabolite

KNApSAcK Entry

id C00003554
Name Spinasaponin A
CAS RN 25406-56-8
Standard InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22?,23-,24+,25-,26+,27-,28?,29-,30?,31-,32?,34-,35+,39-,40+,41+,42-/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL503302

KEGG

By LinkDB C08984

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1
asterids 1

Family

family name count
Amaranthaceae 1
Araliaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aralia elata 82095 Araliaceae asterids Viridiplantae
Spinacia oleracea 3562 Amaranthaceae eudicotyledons Viridiplantae