PCIDB

KNApSAcK Metabolite C00029750

Metabolite

KNApSAcK Entry

id C00029750
Name Assamsaponin A
CAS RN 259747-95-0
Standard InChI InChI=1S/C57H88O25/c1-9-24(2)47(73)77-34-18-52(3,4)16-26-25-10-11-31-53(5)14-13-33(54(6,22-59)30(53)12-15-55(31,7)56(25,8)17-32(63)57(26,34)23-60)78-51-44(81-49-40(69)38(67)37(66)29(19-58)76-49)41(70)42(45(82-51)46(71)72)79-50-43(36(65)28(62)21-75-50)80-48-39(68)35(64)27(61)20-74-48/h9-10,22,26-45,48-51,58,60-70H,11-21,23H2,1-8H3,(H,71,72)/b24-9-/t26-,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43+,44+,45-,48-,49-,50-,51+,53-,54?,55+,56+,57-/m0/s1
Standard InChI (Main Layer) InChI=1S/C57H88O25/c1-9-24(2)47(73)77-34-18-52(3,4)16-26-25-10-11-31-53(5)14-13-33(54(6,22-59)30(53)12-15-55(31,7)56(25,8)17-32(63)57(26,34)23-60)78-51-44(81-49-40(69)38(67)37(66)29(19-58)76-49)41(70)42(45(82-51)46(71)72)79-50-43(36(65)28(62)21-75-50)80-48-39(68)35(64)27(61)20-74-48/h9-10,22,26-45,48-51,58,60-70H,11-21,23H2,1-8H3,(H,71,72)

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 var.assamica PIERRE 4441 Theaceae asterids Viridiplantae