PCIDB

KNApSAcK Metabolite C00042192

Metabolite

KNApSAcK Entry

id C00042192
Name Achyrodimer E
CAS RN 851345-28-3
Standard InChI InChI=1S/C40H44O18/c1-51-22-13-24(55-27(43)14-22)31-29(19-5-9-21(10-6-19)54-39-37(50)35(48)33(46)26(17-42)57-39)30-23(52-2)15-28(44)58-40(30,31)12-11-18-3-7-20(8-4-18)53-38-36(49)34(47)32(45)25(16-41)56-38/h3-15,25-26,29-39,41-42,45-50H,16-17H2,1-2H3/b12-11+/t25?,26?,29-,30+,31+,32?,33?,34?,35?,36?,37?,38?,39?,40+/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H44O18/c1-51-22-13-24(55-27(43)14-22)31-29(19-5-9-21(10-6-19)54-39-37(50)35(48)33(46)26(17-42)57-39)30-23(52-2)15-28(44)58-40(30,31)12-11-18-3-7-20(8-4-18)53-38-36(49)34(47)32(45)25(16-41)56-38/h3-15,25-26,29-39,41-42,45-50H,16-17H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3129

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL526382

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
Achyrocline bogotensis (HBK.) DC. 746490 Asteraceae asterids Viridiplantae