Metabolite

KNApSAcK Entry

id C00013174
Name Vaalens 5 / [3R-[3alpha,5beta(E),5aalpha,6alpha,9beta,9aalpha,10R*]]-10-(Acetyloxy)octahydro-9-hydroxy-6-[(hydroxyacetyl)oxy]-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-phenyl-2-propenoic acid
CAS RN 125458-59-5
Standard InChI InChI=1S/C28H36O9/c1-17(30)34-24-19-15-21(36-22(31)12-11-18-9-7-6-8-10-18)27(5)20(35-23(32)16-29)13-14-26(4,33)28(24,27)37-25(19,2)3/h6-12,19-21,24,29,33H,13-16H2,1-5H3
Standard InChI (Main Layer) InChI=1S/C28H36O9/c1-17(30)34-24-19-15-21(36-22(31)12-11-18-9-7-6-8-10-18)27(5)20(35-23(32)16-29)13-14-26(4,33)28(24,27)37-25(19,2)3/h6-12,19-21,24,29,33H,13-16H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3318

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
Catha transvaalensis 123403 Celastraceae rosids Viridiplantae