PCIDB

KNApSAcK Metabolite C00048282

Metabolite

KNApSAcK Entry

id C00048282
Name 3-Acetyl-khayalactone / (-)-3-Acetyl-khayalactone
CAS RN 1189801-53-3
Standard InChI InChI=1S/C29H36O10/c1-15(30)37-24-17(31)12-28-18(27(4)19(10-21(32)35-5)26(24,3)14-29(27,34)39-28)6-8-25(2)20(28)11-22(33)38-23(25)16-7-9-36-13-16/h7,9,13,18-20,23-24,34H,6,8,10-12,14H2,1-5H3/t18-,19+,20-,23+,24-,25-,26-,27-,28-,29+/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H36O10/c1-15(30)37-24-17(31)12-28-18(27(4)19(10-21(32)35-5)26(24,3)14-29(27,34)39-28)6-8-25(2)20(28)11-22(33)38-23(25)16-7-9-36-13-16/h7,9,13,18-20,23-24,34H,6,8,10-12,14H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 255

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
Khaya ivorensis 486173 Meliaceae rosids Viridiplantae