Metabolite

KNApSAcK Entry

id C00013151
Name [3R-(3a,4b,5a,5aa,6a,9b,9aa,10R*)]-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-Methano-1-benzoxepin-4,5,6,9,10-pentol 5-acetate 6-benzoate
CAS RN 107602-75-5
Standard InChI InChI=1S/C26H34O10/c1-14(27)33-13-25-17(35-22(31)16-9-7-6-8-10-16)11-12-24(5,32)26(25)20(30)18(23(3,4)36-26)19(29)21(25)34-15(2)28/h6-10,17-21,29-30,32H,11-13H2,1-5H3
Standard InChI (Main Layer) InChI=1S/C26H34O10/c1-14(27)33-13-25-17(35-22(31)16-9-7-6-8-10-16)11-12-24(5,32)26(25)20(30)18(23(3,4)36-26)19(29)21(25)34-15(2)28/h6-10,17-21,29-30,32H,11-13H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 173

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
Rzedowskia tolantonguensis 123468 Celastraceae rosids Viridiplantae