PCIDB

KNApSAcK Metabolite C00045799

Metabolite

KNApSAcK Entry

id C00045799
Name Conyzasaponin B / (+)-Conyzasaponin B
CAS RN 317816-99-2
Standard InChI InChI=1S/C67H108O34/c1-26-46(95-55-43(82)47(33(75)22-90-55)96-59-51(85)67(87,24-70)25-92-59)49(98-54-42(81)38(77)31(73)20-89-54)45(84)56(93-26)99-50-39(78)32(74)21-91-58(50)101-60(86)66-14-12-61(2,3)16-28(66)27-8-9-36-62(4)17-29(71)52(63(5,23-69)35(62)10-11-65(36,7)64(27,6)13-15-66)100-57-44(83)48(40(79)34(18-68)94-57)97-53-41(80)37(76)30(72)19-88-53/h8,26,28-59,68-85,87H,9-25H2,1-7H3/t26-,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-,62-,63-,64+,65+,66-,67+/m0/s1
Standard InChI (Main Layer) InChI=1S/C67H108O34/c1-26-46(95-55-43(82)47(33(75)22-90-55)96-59-51(85)67(87,24-70)25-92-59)49(98-54-42(81)38(77)31(73)20-89-54)45(84)56(93-26)99-50-39(78)32(74)21-91-58(50)101-60(86)66-14-12-61(2,3)16-28(66)27-8-9-36-62(4)17-29(71)52(63(5,23-69)35(62)10-11-65(36,7)64(27,6)13-15-66)100-57-44(83)48(40(79)34(18-68)94-57)97-53-41(80)37(76)30(72)19-88-53/h8,26,28-59,68-85,87H,9-25H2,1-7H3

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