PCIDB

KNApSAcK Metabolite C00032796

Metabolite

KNApSAcK Entry

id C00032796
Name Calendasaponin B / (+)-Calendasaponin B
CAS RN 358743-43-8
Standard InChI InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h18,21,23-37,39-41,49-58H,8-17,19-20H2,1-7H3,(H,59,60)/t21-,23-,24-,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,39+,40+,41-,45+,46-,47-,48+/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h18,21,23-37,39-41,49-58H,8-17,19-20H2,1-7H3,(H,59,60)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

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
Calendula officinalis 41496 Asteraceae asterids Viridiplantae