PCIDB

KNApSAcK Metabolite C00003615

Metabolite

KNApSAcK Entry

id C00003615
Name Diginatin
CAS RN 52589-12-5
Standard InChI InChI=1S/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3/t18?,19?,20?,22-,23+,24-,25+,26+,27-,28+,29+,30-,32+,33-,34-,35+,36?,37-,38?,39+,40-,41+/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3

Cluster

Phytochemical cluster No. 56
KCF-S cluster No. 272

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL112842

KEGG

By LinkDB C08861

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Plantaginaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Digitalis lanata 49450 Plantaginaceae asterids Viridiplantae