PCIDB

KNApSAcK Metabolite C00045219

Metabolite

KNApSAcK Entry

id C00045219
Name Agastinol / (-)-Agastinol
CAS RN 413615-33-5
Standard InChI InChI=1S/C27H28O8/c1-32-24-12-16(3-9-22(24)29)11-19-14-34-26(18-6-10-23(30)25(13-18)33-2)21(19)15-35-27(31)17-4-7-20(28)8-5-17/h3-10,12-13,19,21,26,28-30H,11,14-15H2,1-2H3/t19-,21-,26+/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H28O8/c1-32-24-12-16(3-9-22(24)29)11-19-14-34-26(18-6-10-23(30)25(13-18)33-2)21(19)15-35-27(31)17-4-7-20(28)8-5-17/h3-10,12-13,19,21,26,28-30H,11,14-15H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1972

Link

ChEMBL

By standard InChI CHEMBL517327
By standard InChI Main Layer CHEMBL517327

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Agastache rugosa 39271 Lamiaceae asterids Viridiplantae