PCIDB

KNApSAcK Metabolite C00032337

Metabolite

KNApSAcK Entry

id C00032337
Name Theasaponin F1 / (+)-Theasaponin F1
CAS RN 878049-13-9
Standard InChI InChI=1S/C58H90O27/c1-10-23(2)47(74)85-45-44(71)58(22-60)25(17-53(45,3)4)24-11-12-29-54(5)15-14-32(57(8,52(75)76-9)30(54)13-16-55(29,6)56(24,7)18-31(58)63)80-51-43(84-49-38(69)36(67)35(66)28(19-59)79-49)40(39(70)41(82-51)46(72)73)81-50-42(34(65)27(62)21-78-50)83-48-37(68)33(64)26(61)20-77-48/h10-11,25-45,48-51,59-71H,12-22H2,1-9H3,(H,72,73)/b23-10-/t25-,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41-,42?,43+,44-,45-,48-,49-,50-,51?,54+,55+,56+,57-,58-/m0/s1
Standard InChI (Main Layer) InChI=1S/C58H90O27/c1-10-23(2)47(74)85-45-44(71)58(22-60)25(17-53(45,3)4)24-11-12-29-54(5)15-14-32(57(8,52(75)76-9)30(54)13-16-55(29,6)56(24,7)18-31(58)63)80-51-43(84-49-38(69)36(67)35(66)28(19-59)79-49)40(39(70)41(82-51)46(72)73)81-50-42(34(65)27(62)21-78-50)83-48-37(68)33(64)26(61)20-77-48/h10-11,25-45,48-51,59-71H,12-22H2,1-9H3,(H,72,73)

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