PCIDB

KNApSAcK Metabolite C00045800

Metabolite

KNApSAcK Entry

id C00045800
Name Conyzasaponin C
CAS RN 317817-01-9
Standard InChI InChI=1S/C68H110O34/c1-26-37(76)41(80)43(82)56(93-26)97-48-33(75)22-90-55(44(48)83)96-47-27(2)94-57(46(85)50(47)99-60-52(86)68(88,24-71)25-92-60)100-51-39(78)32(74)21-91-59(51)102-61(87)67-15-13-62(3,4)17-29(67)28-9-10-36-63(5)18-30(72)53(64(6,23-70)35(63)11-12-66(36,8)65(28,7)14-16-67)101-58-45(84)49(40(79)34(19-69)95-58)98-54-42(81)38(77)31(73)20-89-54/h9,26-27,29-60,69-86,88H,10-25H2,1-8H3/t26-,27-,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/C68H110O34/c1-26-37(76)41(80)43(82)56(93-26)97-48-33(75)22-90-55(44(48)83)96-47-27(2)94-57(46(85)50(47)99-60-52(86)68(88,24-71)25-92-60)100-51-39(78)32(74)21-91-59(51)102-61(87)67-15-13-62(3,4)17-29(67)28-9-10-36-63(5)18-30(72)53(64(6,23-70)35(63)11-12-66(36,8)65(28,7)14-16-67)101-58-45(84)49(40(79)34(19-69)95-58)98-54-42(81)38(77)31(73)20-89-54/h9,26-27,29-60,69-86,88H,10-25H2,1-8H3

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