PCIDB

KNApSAcK Metabolite C00032339

Metabolite

KNApSAcK Entry

id C00032339
Name Theasaponin F3 / (+)-Theasaponin F3
CAS RN 878049-15-1
Standard InChI InChI=1S/C60H92O28/c1-11-24(2)49(76)88-47-46(73)60(23-81-25(3)62)27(18-55(47,4)5)26-12-13-31-56(6)16-15-34(59(9,54(77)78-10)32(56)14-17-57(31,7)58(26,8)19-33(60)65)83-53-45(87-51-40(71)38(69)37(68)30(20-61)82-51)42(41(72)43(85-53)48(74)75)84-52-44(36(67)29(64)22-80-52)86-50-39(70)35(66)28(63)21-79-50/h11-12,27-47,50-53,61,63-73H,13-23H2,1-10H3,(H,74,75)/b24-11-/t27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44?,45+,46-,47-,50-,51-,52-,53?,56+,57+,58+,59-,60-/m0/s1
Standard InChI (Main Layer) InChI=1S/C60H92O28/c1-11-24(2)49(76)88-47-46(73)60(23-81-25(3)62)27(18-55(47,4)5)26-12-13-31-56(6)16-15-34(59(9,54(77)78-10)32(56)14-17-57(31,7)58(26,8)19-33(60)65)83-53-45(87-51-40(71)38(69)37(68)30(20-61)82-51)42(41(72)43(85-53)48(74)75)84-52-44(36(67)29(64)22-80-52)86-50-39(70)35(66)28(63)21-79-50/h11-12,27-47,50-53,61,63-73H,13-23H2,1-10H3,(H,74,75)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL451398

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