PCIDB

KNApSAcK Metabolite C00038383

Metabolite

KNApSAcK Entry

id C00038383
Name Ageratoside B2 / (-)-Ageratoside B2
CAS RN 233761-49-4
Standard InChI InChI=1S/C57H90O27/c1-22-35(65)43(82-47-40(70)37(67)28(62)20-76-47)41(71)48(78-22)83-44-38(68)29(63)21-77-49(44)84-51(74)57-13-12-52(2,3)15-24(57)23-8-9-31-53(4)16-26(60)45(56(7,50(72)73)32(53)10-11-54(31,5)55(23,6)17-33(57)64)80-34-14-25(59)42(30(18-58)79-34)81-46-39(69)36(66)27(61)19-75-46/h8,22,24-49,58-71H,9-21H2,1-7H3,(H,72,73)/t22-,24-,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-,53+,54+,55+,56-,57+/m0/s1
Standard InChI (Main Layer) InChI=1S/C57H90O27/c1-22-35(65)43(82-47-40(70)37(67)28(62)20-76-47)41(71)48(78-22)83-44-38(68)29(63)21-77-49(44)84-51(74)57-13-12-52(2,3)15-24(57)23-8-9-31-53(4)16-26(60)45(56(7,50(72)73)32(53)10-11-54(31,5)55(23,6)17-33(57)64)80-34-14-25(59)42(30(18-58)79-34)81-46-39(69)36(66)27(61)19-75-46/h8,22,24-49,58-71H,9-21H2,1-7H3,(H,72,73)

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