PCIDB

KNApSAcK Metabolite C00044645

Metabolite

KNApSAcK Entry

id C00044645
Name Conyzasaponin O / (-)-Conyzasaponin O
CAS RN 653593-38-5
Standard InChI InChI=1S/C68H110O35/c1-27-45(97-53-42(82)46(32(76)21-90-53)98-58-50(85)67(88,23-72)25-92-58)48(100-59-51(86)68(89,24-73)26-93-59)44(84)55(94-27)101-49-37(77)31(75)20-91-57(49)103-60(87)66-14-12-61(2,3)16-29(66)28-8-9-36-62(4)17-30(74)52(63(5,22-71)35(62)10-11-65(36,7)64(28,6)13-15-66)102-56-43(83)47(39(79)34(19-70)96-56)99-54-41(81)40(80)38(78)33(18-69)95-54/h8,27,29-59,69-86,88-89H,9-26H2,1-7H3/t27-,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-,62-,63-,64+,65+,66-,67+,68+/m0/s1
Standard InChI (Main Layer) InChI=1S/C68H110O35/c1-27-45(97-53-42(82)46(32(76)21-90-53)98-58-50(85)67(88,23-72)25-92-58)48(100-59-51(86)68(89,24-73)26-93-59)44(84)55(94-27)101-49-37(77)31(75)20-91-57(49)103-60(87)66-14-12-61(2,3)16-29(66)28-8-9-36-62(4)17-30(74)52(63(5,22-71)35(62)10-11-65(36,7)64(28,6)13-15-66)102-56-43(83)47(39(79)34(19-70)96-56)99-54-41(81)40(80)38(78)33(18-69)95-54/h8,27,29-59,69-86,88-89H,9-26H2,1-7H3

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