Metabolite

KNApSAcK Entry

id C00013186
Name Malkangunin / (-)-Malkangunin / Malkanguniol 4-acetate 5-benzoate / [3S-(3alpha,4beta,5beta,5aalpha,6alpha,9alpha,9aalpha)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6-triol 4-acetate 5-benzoate
CAS RN 52691-06-2
Standard InChI InChI=1S/C24H32O7/c1-14-10-11-18(27)23(13-25)19(30-21(28)16-8-6-5-7-9-16)12-17-20(29-15(2)26)24(14,23)31-22(17,3)4/h5-9,14,17-20,25,27H,10-13H2,1-4H3
Standard InChI (Main Layer) InChI=1S/C24H32O7/c1-14-10-11-18(27)23(13-25)19(30-21(28)16-8-6-5-7-9-16)12-17-20(29-15(2)26)24(14,23)31-22(17,3)4/h5-9,14,17-20,25,27H,10-13H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5403

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
Celastraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Celastrus paniculatus 994668 Celastraceae rosids Viridiplantae