PCIDB

KNApSAcK Metabolite C00038379

Metabolite

KNApSAcK Entry

id C00038379
Name Ageratoside A3 / (-)-Ageratoside A3
CAS RN 233761-44-9
Standard InChI InChI=1S/C59H92O29/c1-22-42(82-23(2)61)44(85-48-39(72)35(68)28(64)20-79-48)41(74)50(81-22)86-45-36(69)29(65)21-80-51(45)88-53(77)59-14-13-54(3,4)15-25(59)24-9-10-31-55(5)16-26(62)46(58(8,52(75)76)32(55)11-12-56(31,6)57(24,7)17-33(59)66)87-49-40(73)37(70)43(30(18-60)83-49)84-47-38(71)34(67)27(63)19-78-47/h9,22,25-51,60,62-74H,10-21H2,1-8H3,(H,75,76)/t22-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41+,42-,43+,44-,45+,46-,47-,48-,49-,50-,51-,55+,56+,57+,58-,59+/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H92O29/c1-22-42(82-23(2)61)44(85-48-39(72)35(68)28(64)20-79-48)41(74)50(81-22)86-45-36(69)29(65)21-80-51(45)88-53(77)59-14-13-54(3,4)15-25(59)24-9-10-31-55(5)16-26(62)46(58(8,52(75)76)32(55)11-12-56(31,6)57(24,7)17-33(59)66)87-49-40(73)37(70)43(30(18-60)83-49)84-47-38(71)34(67)27(63)19-78-47/h9,22,25-51,60,62-74H,10-21H2,1-8H3,(H,75,76)

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