PCIDB

KNApSAcK Metabolite C00041057

Metabolite

KNApSAcK Entry

id C00041057
Name Methyl 3beta-acetoxy-6-hydroxy-1-oxomeliac-14-enoate / (-)-Methyl 3beta-acetoxy-6-hydroxy-1-oxomeliac-14-enoate
CAS RN 52557-61-6
Standard InChI InChI=1S/C29H36O9/c1-14(30)37-25-17-11-16-18(29(5,23(17)33)22(27(25,2)3)21(32)26(34)35-6)7-9-28(4)19(16)12-20(31)38-24(28)15-8-10-36-13-15/h8,10,12-13,16-18,21-22,24-25,32H,7,9,11H2,1-6H3/t16-,17-,18+,21-,22+,24+,25-,28-,29-/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H36O9/c1-14(30)37-25-17-11-16-18(29(5,23(17)33)22(27(25,2)3)21(32)26(34)35-6)7-9-28(4)19(16)12-20(31)38-24(28)15-8-10-36-13-15/h8,10,12-13,16-18,21-22,24-25,32H,7,9,11H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1874

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 senegalensis 587579 Meliaceae rosids Viridiplantae