PCIDB

KNApSAcK Metabolite C00048257

Metabolite

KNApSAcK Entry

id C00048257
Name 1-O-Acetylkhayanolide A / Khayanolide A 1-acetate
CAS RN 345232-57-7
Standard InChI InChI=1S/C29H34O11/c1-13(30)39-27-12-24(2)19(18(33)23(35)36-5)26(27,4)15-6-8-25(3)22(14-7-9-37-11-14)38-16(31)10-28(25)29(15,40-28)20(27)17(32)21(24)34/h7,9,11,15,18-22,33-34H,6,8,10,12H2,1-5H3/t15-,18+,19+,20?,21-,22+,24-,25+,26-,27+,28+,29+/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H34O11/c1-13(30)39-27-12-24(2)19(18(33)23(35)36-5)26(27,4)15-6-8-25(3)22(14-7-9-37-11-14)38-16(31)10-28(25)29(15,40-28)20(27)17(32)21(24)34/h7,9,11,15,18-22,33-34H,6,8,10,12H2,1-5H3

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