PCIDB

KNApSAcK Metabolite C00013208

Metabolite

KNApSAcK Entry

id C00013208
Name Smyrnicordi-8-enolide / (4aR-trans)-4a,9a-Dihydro-3,5,9a-trimethylfuro[2,3-h][3]benzoxepin-2(4H)-one
CAS RN 100668-33-5
Standard InChI InChI=1S/C15H16O3/c1-9-8-17-5-4-15(3)7-13-11(6-12(9)15)10(2)14(16)18-13/h4-5,7-8,12H,6H2,1-3H3/t12-,15+/m0/s1
Standard InChI (Main Layer) InChI=1S/C15H16O3/c1-9-8-17-5-4-15(3)7-13-11(6-12(9)15)10(2)14(16)18-13/h4-5,7-8,12H,6H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2675

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
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Smyrnium rotundifolium 489403 Apiaceae asterids Viridiplantae