PCIDB

KNApSAcK Metabolite C00032324

Metabolite

KNApSAcK Entry

id C00032324
Name Theasaponin A4 / (+)-Theasaponin A4
CAS RN 929877-77-0
Standard InChI InChI=1S/C58H92O27/c1-9-23(2)48(76)85-46-45(73)58(22-62)25(16-53(46,3)4)24-10-11-30-54(5)14-13-32(55(6,21-61)29(54)12-15-56(30,7)57(24,8)17-31(58)64)80-52-44(84-50-39(71)37(69)35(67)28(19-60)79-50)41(40(72)42(82-52)47(74)75)81-51-43(33(65)26(63)20-77-51)83-49-38(70)36(68)34(66)27(18-59)78-49/h9-10,25-46,49-52,59-73H,11-22H2,1-8H3,(H,74,75)/b23-9-/t25-,26-,27+,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40-,41-,42-,43?,44+,45-,46-,49-,50-,51-,52?,54-,55-,56+,57+,58-/m0/s1
Standard InChI (Main Layer) InChI=1S/C58H92O27/c1-9-23(2)48(76)85-46-45(73)58(22-62)25(16-53(46,3)4)24-10-11-30-54(5)14-13-32(55(6,21-61)29(54)12-15-56(30,7)57(24,8)17-31(58)64)80-52-44(84-50-39(71)37(69)35(67)28(19-60)79-50)41(40(72)42(82-52)47(74)75)81-51-43(33(65)26(63)20-77-51)83-49-38(70)36(68)34(66)27(18-59)78-49/h9-10,25-46,49-52,59-73H,11-22H2,1-8H3,(H,74,75)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Theaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Camellia sinensis 4442 Theaceae asterids Viridiplantae