PCIDB

KNApSAcK Metabolite C00019893

Metabolite

KNApSAcK Entry

id C00019893
Name (-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2'-deoxybruceol
CAS RN 160663-86-5
Standard InChI InChI=1S/C24H28O6/c1-12(2)16(30-26)10-15-20-14-8-9-24(15,5)29-22-13-6-7-19(25)27-17(13)11-18(21(20)22)28-23(14,3)4/h6-7,11,14-16,20,26H,1,8-10H2,2-5H3/t14?,15-,16?,20?,24+/m1/s1
Standard InChI (Main Layer) InChI=1S/C24H28O6/c1-12(2)16(30-26)10-15-20-14-8-9-24(15,5)29-22-13-6-7-19(25)27-17(13)11-18(21(20)22)28-23(14,3)4/h6-7,11,14-16,20,26H,1,8-10H2,2-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2712

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rutaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eriostemon myoporoides 68542 Rutaceae rosids Viridiplantae