PCIDB

KNApSAcK Metabolite C00003442

Metabolite

KNApSAcK Entry

id C00003442
Name Isodomedin
CAS RN 39388-61-9
Standard InChI InChI=1S/C22H32O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)17(9-15(21)24)28-11(2)23/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13-,14+,15+,16+,17-,19+,21-,22-/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H32O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)17(9-15(21)24)28-11(2)23/h12-17,19,24-25,27H,1,6-9H2,2-5H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 289

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL564759

KEGG

By LinkDB C09115

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Lamiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Isodon pharicus 204134 Lamiaceae asterids Viridiplantae
Isodon shikokianus var. intermedius 550458 Lamiaceae asterids Viridiplantae