PCIDB

KNApSAcK Metabolite C00036126

Metabolite

KNApSAcK Entry

id C00036126
Name Isochaihulactone / (-)-Isochaihulactone
CAS RN 652143-70-9
Standard InChI InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7-/t15-/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 1029

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
Bupleurum scorzonerifolium 48105 Apiaceae asterids Viridiplantae