PCIDB

KNApSAcK Metabolite C00038378

Metabolite

KNApSAcK Entry

id C00038378
Name Ageratoside A2
CAS RN 233761-43-8
Standard InChI InChI=1S/C60H94O30/c1-23-41(83-24(2)64)43(87-51-45(75)59(79,21-63)22-81-51)40(74)49(82-23)88-44-34(68)28(66)20-80-50(44)90-53(78)60-14-13-54(3,4)15-26(60)25-9-10-31-55(5)16-27(65)46(58(8,52(76)77)32(55)11-12-56(31,6)57(25,7)17-33(60)67)89-48-39(73)37(71)42(30(19-62)85-48)86-47-38(72)36(70)35(69)29(18-61)84-47/h9,23,26-51,61-63,65-75,79H,10-22H2,1-8H3,(H,76,77)/t23-,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+,60+/m0/s1
Standard InChI (Main Layer) InChI=1S/C60H94O30/c1-23-41(83-24(2)64)43(87-51-45(75)59(79,21-63)22-81-51)40(74)49(82-23)88-44-34(68)28(66)20-80-50(44)90-53(78)60-14-13-54(3,4)15-26(60)25-9-10-31-55(5)16-27(65)46(58(8,52(76)77)32(55)11-12-56(31,6)57(25,7)17-33(60)67)89-48-39(73)37(71)42(30(19-62)85-48)86-47-38(72)36(70)35(69)29(18-61)84-47/h9,23,26-51,61-63,65-75,79H,10-22H2,1-8H3,(H,76,77)

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