PCIDB

KNApSAcK Metabolite C00019362

Metabolite

KNApSAcK Entry

id C00019362
Name Boerhavilanostenyl benzoate
CAS RN 219686-54-1
Standard InChI InChI=1S/C43H64O8/c1-26(25-49-39-36(47)35(46)37(32(24-44)50-39)51-38(48)28-14-9-8-10-15-28)12-11-13-27(2)29-18-22-43(7)31-16-17-33-40(3,4)34(45)20-21-41(33,5)30(31)19-23-42(29,43)6/h8-10,14-15,17,26-27,29-32,35-37,39,44,46-47H,11-13,16,18-25H2,1-7H3/t26?,27-,29?,30?,31?,32?,35-,36?,37-,39-,41-,42-,43+/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H64O8/c1-26(25-49-39-36(47)35(46)37(32(24-44)50-39)51-38(48)28-14-9-8-10-15-28)12-11-13-27(2)29-18-22-43(7)31-16-17-33-40(3,4)34(45)20-21-41(33,5)30(31)19-23-42(29,43)6/h8-10,14-15,17,26-27,29-32,35-37,39,44,46-47H,11-13,16,18-25H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 6638

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Nyctaginaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Boerhavia diffusa 930814 Nyctaginaceae eudicotyledons Viridiplantae