PCIDB

KNApSAcK Metabolite C00044644

Metabolite

KNApSAcK Entry

id C00044644
Name Conyzasaponin N / (-)-Conyzasaponin N
CAS RN 653593-37-4
Standard InChI InChI=1S/C62H100O30/c1-26-41(87-48-39(74)42(31(69)20-81-48)88-52-45(76)61(79,22-65)24-83-52)43(89-53-46(77)62(80,23-66)25-84-53)40(75)50(85-26)90-44-35(70)30(68)19-82-51(44)92-54(78)60-14-12-55(2,3)16-28(60)27-8-9-34-56(4)17-29(67)47(91-49-38(73)37(72)36(71)32(18-63)86-49)57(5,21-64)33(56)10-11-59(34,7)58(27,6)13-15-60/h8,26,28-53,63-77,79-80H,9-25H2,1-7H3/t26-,28-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58+,59+,60-,61+,62+/m0/s1
Standard InChI (Main Layer) InChI=1S/C62H100O30/c1-26-41(87-48-39(74)42(31(69)20-81-48)88-52-45(76)61(79,22-65)24-83-52)43(89-53-46(77)62(80,23-66)25-84-53)40(75)50(85-26)90-44-35(70)30(68)19-82-51(44)92-54(78)60-14-12-55(2,3)16-28(60)27-8-9-34-56(4)17-29(67)47(91-49-38(73)37(72)36(71)32(18-63)86-49)57(5,21-64)33(56)10-11-59(34,7)58(27,6)13-15-60/h8,26,28-53,63-77,79-80H,9-25H2,1-7H3

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Conyza blinii 1408201 Asteraceae asterids Viridiplantae