PCIDB

KNApSAcK Metabolite C00044640

Metabolite

KNApSAcK Entry

id C00044640
Name Conyzasaponin J / (-)-Conyzasaponin J
CAS RN 653593-33-0
Standard InChI InChI=1S/C63H102O31/c1-23-35(71)39(75)42(78)53(86-23)90-47-30(69)21-84-52(44(47)80)89-46-24(2)87-54(43(79)40(46)76)92-49-37(73)29(68)20-85-56(49)94-57(82)63-14-13-58(3,4)15-26(63)25-9-10-33-59(5)16-27(66)50(60(6,22-65)32(59)11-12-61(33,7)62(25,8)17-34(63)70)93-55-45(81)48(38(74)31(18-64)88-55)91-51-41(77)36(72)28(67)19-83-51/h9,23-24,26-56,64-81H,10-22H2,1-8H3/t23-,24-,26-,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/C63H102O31/c1-23-35(71)39(75)42(78)53(86-23)90-47-30(69)21-84-52(44(47)80)89-46-24(2)87-54(43(79)40(46)76)92-49-37(73)29(68)20-85-56(49)94-57(82)63-14-13-58(3,4)15-26(63)25-9-10-33-59(5)16-27(66)50(60(6,22-65)32(59)11-12-61(33,7)62(25,8)17-34(63)70)93-55-45(81)48(38(74)31(18-64)88-55)91-51-41(77)36(72)28(67)19-83-51/h9,23-24,26-56,64-81H,10-22H2,1-8H3

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