PCIDB

KNApSAcK Metabolite C00047672

Metabolite

KNApSAcK Entry

id C00047672
Name 4-Methylene-5beta-hydroperoxyovatodiolide / (+)-4-Methylene-5beta-hydroperoxyovatodiolide
CAS RN 1037412-83-1
Standard InChI InChI=1S/C20H24O6/c1-11-8-15-10-14(20(22)24-15)5-7-17(26-23)12(2)4-6-16-13(3)19(21)25-18(16)9-11/h9-10,15-18,23H,2-8H2,1H3/b11-9-/t15-,16-,17-,18+/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H24O6/c1-11-8-15-10-14(20(22)24-15)5-7-17(26-23)12(2)4-6-16-13(3)19(21)25-18(16)9-11/h9-10,15-18,23H,2-8H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2398

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL471694

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
Isodon sculponeatus 662928 Lamiaceae asterids Viridiplantae