PCIDB

KNApSAcK Metabolite C00044639

Metabolite

KNApSAcK Entry

id C00044639
Name Conyzasaponin I / (-)-Conyzasaponin I
CAS RN 653593-32-9
Standard InChI InChI=1S/C63H102O30/c1-24-35(70)39(74)42(77)53(85-24)89-47-31(69)22-83-52(44(47)79)88-46-25(2)86-54(43(78)40(46)75)91-49-37(72)30(68)21-84-56(49)93-57(81)63-15-13-58(3,4)17-27(63)26-9-10-34-59(5)18-28(66)50(60(6,23-65)33(59)11-12-62(34,8)61(26,7)14-16-63)92-55-45(80)48(38(73)32(19-64)87-55)90-51-41(76)36(71)29(67)20-82-51/h9,24-25,27-56,64-80H,10-23H2,1-8H3/t24-,25-,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-,52-,53-,54-,55-,56?,59-,60-,61+,62+,63-/m0/s1
Standard InChI (Main Layer) InChI=1S/C63H102O30/c1-24-35(70)39(74)42(77)53(85-24)89-47-31(69)22-83-52(44(47)79)88-46-25(2)86-54(43(78)40(46)75)91-49-37(72)30(68)21-84-56(49)93-57(81)63-15-13-58(3,4)17-27(63)26-9-10-34-59(5)18-28(66)50(60(6,23-65)33(59)11-12-62(34,8)61(26,7)14-16-63)92-55-45(80)48(38(73)32(19-64)87-55)90-51-41(76)36(71)29(67)20-82-51/h9,24-25,27-56,64-80H,10-23H2,1-8H3

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