PCIDB

KNApSAcK Metabolite C00044642

Metabolite

KNApSAcK Entry

id C00044642
Name Conyzasaponin L / (-)-Conyzasaponin L
CAS RN 653593-35-2
Standard InChI InChI=1S/C69H112O36/c1-24-37(78)43(84)54(103-59-46(87)42(83)40(81)32(18-70)97-59)62(95-24)100-51-31(76)22-93-57(48(51)89)99-50-25(2)96-58(47(88)44(50)85)102-53-39(80)30(75)21-94-61(53)105-63(91)69-14-13-64(3,4)15-27(69)26-9-10-35-65(5)16-28(73)55(66(6,23-72)34(65)11-12-67(35,7)68(26,8)17-36(69)77)104-60-49(90)52(41(82)33(19-71)98-60)101-56-45(86)38(79)29(74)20-92-56/h9,24-25,27-62,70-90H,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-,57-,58-,59-,60-,61?,62-,65-,66-,67+,68+,69+/m0/s1
Standard InChI (Main Layer) InChI=1S/C69H112O36/c1-24-37(78)43(84)54(103-59-46(87)42(83)40(81)32(18-70)97-59)62(95-24)100-51-31(76)22-93-57(48(51)89)99-50-25(2)96-58(47(88)44(50)85)102-53-39(80)30(75)21-94-61(53)105-63(91)69-14-13-64(3,4)15-27(69)26-9-10-35-65(5)16-28(73)55(66(6,23-72)34(65)11-12-67(35,7)68(26,8)17-36(69)77)104-60-49(90)52(41(82)33(19-71)98-60)101-56-45(86)38(79)29(74)20-92-56/h9,24-25,27-62,70-90H,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