PCIDB

KNApSAcK Metabolite C00040845

Metabolite

KNApSAcK Entry

id C00040845
Name 7-Deacetyl-21-hydroxyneotrichilenonelide
CAS RN 220098-17-9
Standard InChI InChI=1S/C26H34O6/c1-23(2)17-12-19(29)26(5)16(25(17,4)9-7-18(23)28)6-8-24(3)14(11-15(27)21(24)26)13-10-20(30)32-22(13)31/h7,9-10,14,16-17,19,21-22,29,31H,6,8,11-12H2,1-5H3/t14-,16+,17-,19+,21+,22?,24-,25+,26-/m0/s1
Standard InChI (Main Layer) InChI=1S/C26H34O6/c1-23(2)17-12-19(29)26(5)16(25(17,4)9-7-18(23)28)6-8-24(3)14(11-15(27)21(24)26)13-10-20(30)32-22(13)31/h7,9-10,14,16-17,19,21-22,29,31H,6,8,11-12H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2073

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
Meliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Trichilia estipulata 43894 Meliaceae rosids Viridiplantae