PCIDB

KNApSAcK Metabolite C00038381

Metabolite

KNApSAcK Entry

id C00038381
Name Ageratoside A5 / (-)-Ageratoside A5
CAS RN 233761-47-2
Standard InChI InChI=1S/C54H84O25/c1-22-37(74-23(2)57)38(76-45-40(66)53(70,20-56)21-72-45)36(65)43(73-22)77-39-32(61)27(59)19-71-44(39)79-47(69)54-14-13-48(3,4)15-25(54)24-9-10-29-49(5)16-26(58)41(78-42-35(64)34(63)33(62)28(18-55)75-42)52(8,46(67)68)30(49)11-12-50(29,6)51(24,7)17-31(54)60/h9,22,25-45,55-56,58-66,70H,10-21H2,1-8H3,(H,67,68)/t22-,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44-,45-,49+,50+,51+,52-,53+,54+/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H84O25/c1-22-37(74-23(2)57)38(76-45-40(66)53(70,20-56)21-72-45)36(65)43(73-22)77-39-32(61)27(59)19-71-44(39)79-47(69)54-14-13-48(3,4)15-25(54)24-9-10-29-49(5)16-26(58)41(78-42-35(64)34(63)33(62)28(18-55)75-42)52(8,46(67)68)30(49)11-12-50(29,6)51(24,7)17-31(54)60/h9,22,25-45,55-56,58-66,70H,10-21H2,1-8H3,(H,67,68)

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
Aster ageratoides Turez var. ovatus Nakai 41479 Asteraceae asterids Viridiplantae