PCIDB

KNApSAcK Metabolite C00032795

Metabolite

KNApSAcK Entry

id C00032795
Name Calendasaponin A / (+)-Calendasaponin A
CAS RN 358732-31-7
Standard InChI InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h18,22,24-42,44-47,55-67H,8-17,19-21H2,1-7H3,(H,68,69)/t22-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,44+,45+,46+,47-,51+,52-,53-,54+/m1/s1
Standard InChI (Main Layer) InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h18,22,24-42,44-47,55-67H,8-17,19-21H2,1-7H3,(H,68,69)

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
Calendula officinalis 41496 Asteraceae asterids Viridiplantae