PCIDB

KNApSAcK Metabolite C00044643

Metabolite

KNApSAcK Entry

id C00044643
Name Conyzasaponin M / (-)-Conyzasaponin M
CAS RN 653593-36-3
Standard InChI InChI=1S/C67H108O34/c1-27-44(95-53-41(80)45(33(75)21-89-53)96-57-49(83)66(86,23-70)25-91-57)47(98-58-50(84)67(87,24-71)26-92-58)43(82)54(93-27)99-48-38(77)32(74)20-90-56(48)101-59(85)65-14-12-60(2,3)16-29(65)28-8-9-36-61(4)17-30(72)51(62(5,22-69)35(61)10-11-64(36,7)63(28,6)13-15-65)100-55-42(81)46(39(78)34(18-68)94-55)97-52-40(79)37(76)31(73)19-88-52/h8,27,29-58,68-84,86-87H,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-,61-,62-,63+,64+,65-,66+,67+/m0/s1
Standard InChI (Main Layer) InChI=1S/C67H108O34/c1-27-44(95-53-41(80)45(33(75)21-89-53)96-57-49(83)66(86,23-70)25-91-57)47(98-58-50(84)67(87,24-71)26-92-58)43(82)54(93-27)99-48-38(77)32(74)20-90-56(48)101-59(85)65-14-12-60(2,3)16-29(65)28-8-9-36-61(4)17-30(72)51(62(5,22-69)35(61)10-11-64(36,7)63(28,6)13-15-65)100-55-42(81)46(39(78)34(18-68)94-55)97-52-40(79)37(76)31(73)19-88-52/h8,27,29-58,68-84,86-87H,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