PCIDB

KNApSAcK Metabolite C00044641

Metabolite

KNApSAcK Entry

id C00044641
Name Conyzasaponin K / (-)-Conyzasaponin K
CAS RN 653593-34-1
Standard InChI InChI=1S/C68H110O35/c1-25-37(77)41(81)43(83)56(94-25)98-48-32(75)21-91-55(44(48)84)97-47-26(2)95-57(46(86)50(47)100-60-52(87)67(89,23-71)24-93-60)101-51-39(79)31(74)20-92-59(51)103-61(88)68-14-13-62(3,4)15-28(68)27-9-10-35-63(5)16-29(72)53(64(6,22-70)34(63)11-12-65(35,7)66(27,8)17-36(68)76)102-58-45(85)49(40(80)33(18-69)96-58)99-54-42(82)38(78)30(73)19-90-54/h9,25-26,28-60,69-87,89H,10-24H2,1-8H3/t25-,26-,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-,57-,58-,59?,60?,63-,64-,65+,66+,67+,68+/m0/s1
Standard InChI (Main Layer) InChI=1S/C68H110O35/c1-25-37(77)41(81)43(83)56(94-25)98-48-32(75)21-91-55(44(48)84)97-47-26(2)95-57(46(86)50(47)100-60-52(87)67(89,23-71)24-93-60)101-51-39(79)31(74)20-92-59(51)103-61(88)68-14-13-62(3,4)15-28(68)27-9-10-35-63(5)16-29(72)53(64(6,22-70)34(63)11-12-65(35,7)66(27,8)17-36(68)76)102-58-45(85)49(40(80)33(18-69)96-58)99-54-42(82)38(78)30(73)19-90-54/h9,25-26,28-60,69-87,89H,10-24H2,1-8H3

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