PCIDB

KNApSAcK Metabolite C00021413

Metabolite

KNApSAcK Entry

id C00021413
Name 2,3-Epoxyjaeschkeanadiol 5alpha-vanillate
CAS RN 112501-40-3
Standard InChI InChI=1S/C23H32O6/c1-13(2)23(26)9-8-21(3)12-18-22(4,29-18)11-17(19(21)23)28-20(25)14-6-7-15(24)16(10-14)27-5/h6-7,10,13,17-19,24,26H,8-9,11-12H2,1-5H3/t17-,18-,19+,21+,22+,23+/m0/s1
Standard InChI (Main Layer) InChI=1S/C23H32O6/c1-13(2)23(26)9-8-21(3)12-18-22(4,29-18)11-17(19(21)23)28-20(25)14-6-7-15(24)16(10-14)27-5/h6-7,10,13,17-19,24,26H,8-9,11-12H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 971

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
Ferula orientalis 662814 Apiaceae asterids Viridiplantae