PCIDB

KNApSAcK Metabolite C00003552

Metabolite

KNApSAcK Entry

id C00003552
Name Soyasaponin A1
CAS RN 78693-94-4
Standard InChI InChI=1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)/t23-,24-,25?,26?,27?,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39?,40?,41?,42?,43?,44?,45?,46-,47+,49-,50-,51-,52-,53+,55+,56-,57-,58+,59+/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08982

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1
rosids 1

Family

family name count
Balsaminaceae 1
Fabaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Glycine max 3847 Fabaceae rosids Viridiplantae
Impatiens siculifer 253054 Balsaminaceae asterids Viridiplantae