PCIDB

KNApSAcK Metabolite C00033082

Metabolite

KNApSAcK Entry

id C00033082
Name Jegosaponin A / (-)-Jegosaponin A
CAS RN 290809-61-9
Standard InChI InChI=1S/C61H96O27/c1-12-24(2)51(78)88-48-49(80-26(4)65)61(23-64)28(19-56(48,5)6)27-13-14-32-58(9)17-16-34(57(7,8)31(58)15-18-59(32,10)60(27,11)20-33(61)66)83-55-47(87-53-42(74)39(71)36(68)29(21-62)81-53)44(43(75)45(85-55)50(76)77)84-54-46(40(72)37(69)30(22-63)82-54)86-52-41(73)38(70)35(67)25(3)79-52/h12-13,25,28-49,52-55,62-64,66-75H,14-23H2,1-11H3,(H,76,77)/b24-12+/t25-,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-,38+,39-,40-,41+,42+,43-,44-,45-,46+,47+,48-,49-,52-,53-,54-,55+,58-,59+,60+,61-/m0/s1
Standard InChI (Main Layer) InChI=1S/C61H96O27/c1-12-24(2)51(78)88-48-49(80-26(4)65)61(23-64)28(19-56(48,5)6)27-13-14-32-58(9)17-16-34(57(7,8)31(58)15-18-59(32,10)60(27,11)20-33(61)66)83-55-47(87-53-42(74)39(71)36(68)29(21-62)81-53)44(43(75)45(85-55)50(76)77)84-54-46(40(72)37(69)30(22-63)82-54)86-52-41(73)38(70)35(67)25(3)79-52/h12-13,25,28-49,52-55,62-64,66-75H,14-23H2,1-11H3,(H,76,77)

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
Styracaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Styrax japonica SIEB.et ZUCC. 13699 Styracaceae asterids Viridiplantae