PCIDB

KNApSAcK Metabolite C00042894

Metabolite

KNApSAcK Entry

id C00042894
Name Pursaethoside C / (-)-Pursaethoside C
CAS RN 865364-25-6
Standard InChI InChI=1S/C59H95NO27/c1-24(63)60-34-42(85-49-41(72)36(67)28(65)20-79-49)38(69)30(21-80-48-40(71)35(66)27(64)19-78-48)83-47(34)84-33-12-13-55(6)31(54(33,4)5)11-14-56(7)32(55)10-9-25-26-17-53(2,3)15-16-59(26,45(74)44(73)57(25,56)8)52(76)87-50-43(39(70)37(68)29(18-61)82-50)86-51-46(75)58(77,22-62)23-81-51/h9,26-51,61-62,64-75,77H,10-23H2,1-8H3,(H,60,63)/t26-,27-,28+,29+,30+,31-,32+,33-,34+,35-,36-,37+,38+,39-,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,50-,51-,55-,56+,57-,58+,59+/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H95NO27/c1-24(63)60-34-42(85-49-41(72)36(67)28(65)20-79-49)38(69)30(21-80-48-40(71)35(66)27(64)19-78-48)83-47(34)84-33-12-13-55(6)31(54(33,4)5)11-14-56(7)32(55)10-9-25-26-17-53(2,3)15-16-59(26,45(74)44(73)57(25,56)8)52(76)87-50-43(39(70)37(68)29(18-61)82-50)86-51-46(75)58(77,22-62)23-81-51/h9,26-51,61-62,64-75,77H,10-23H2,1-8H3,(H,60,63)

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL501152
By standard InChI Main Layer CHEMBL501152

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Entada pursaetha 148696 Fabaceae rosids Viridiplantae