Metabolite

KNApSAcK Entry

id C00013170
Name [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol
CAS RN 114226-33-4
Standard InChI InChI=1S/C26H34O9/c1-14(27)32-20-18-19(29)21(33-15(2)28)25(6)17(34-22(30)16-10-8-7-9-11-16)12-13-24(5,31)26(20,25)35-23(18,3)4/h7-11,17-21,29,31H,12-13H2,1-6H3
Standard InChI (Main Layer) InChI=1S/C26H34O9/c1-14(27)32-20-18-19(29)21(33-15(2)28)25(6)17(34-22(30)16-10-8-7-9-11-16)12-13-24(5,31)26(20,25)35-23(18,3)4/h7-11,17-21,29,31H,12-13H2,1-6H3

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
Orthosphenia mexicana 123438 Celastraceae rosids Viridiplantae