PCIDB

KNApSAcK Metabolite C00003662

Metabolite

KNApSAcK Entry

id C00003662
Name Miroestrol
CAS RN 2618-41-9
Standard InChI InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3

Cluster

Phytochemical cluster No. 58
KCF-S cluster No. 5885

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL517833

KEGG

By LinkDB C08831

CTD

By CAS RN C002366

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pueraria mirifica 861244 Fabaceae rosids Viridiplantae