PCIDB

KNApSAcK Metabolite C00048332

Metabolite

KNApSAcK Entry

id C00048332
Name Bethoside A / (-)-Bethoside A
CAS RN 1142859-74-2
Standard InChI InChI=1S/C56H88O28/c1-18-16-74-56(48(72)44(18)80-52-43(71)39(67)45(21(4)77-52)81-50-41(69)37(65)33(61)19(2)75-50)27(14-57)32-29(84-56)13-26-24-8-7-22-11-23(59)12-31(55(22,6)25(24)9-10-54(26,32)5)79-53-47(83-51-42(70)38(66)34(62)20(3)76-51)46(36(64)30(15-58)78-53)82-49-40(68)35(63)28(60)17-73-49/h7,19-21,23-53,57-72H,1,8-17H2,2-6H3/t19-,20-,21+,23+,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,38+,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
Standard InChI (Main Layer) InChI=1S/C56H88O28/c1-18-16-74-56(48(72)44(18)80-52-43(71)39(67)45(21(4)77-52)81-50-41(69)37(65)33(61)19(2)75-50)27(14-57)32-29(84-56)13-26-24-8-7-22-11-23(59)12-31(55(22,6)25(24)9-10-54(26,32)5)79-53-47(83-51-42(70)38(66)34(62)20(3)76-51)46(36(64)30(15-58)78-53)82-49-40(68)35(63)28(60)17-73-49/h7,19-21,23-53,57-72H,1,8-17H2,2-6H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

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
Beta vulgaris 161934 Amaranthaceae eudicotyledons Viridiplantae