Metabolite

KNApSAcK Entry

id C00013173
Name [3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,6,9,10-tetrol 5,10-diacetate 6-benzoate
CAS RN 107602-73-3
Standard InChI InChI=1S/C28H36O10/c1-16(29)34-15-27-21(37-24(32)19-10-8-7-9-11-19)12-13-26(6,33)28(27)23(36-18(3)31)20(25(4,5)38-28)14-22(27)35-17(2)30/h7-11,20-23,33H,12-15H2,1-6H3
Standard InChI (Main Layer) InChI=1S/C28H36O10/c1-16(29)34-15-27-21(37-24(32)19-10-8-7-9-11-19)12-13-26(6,33)28(27)23(36-18(3)31)20(25(4,5)38-28)14-22(27)35-17(2)30/h7-11,20-23,33H,12-15H2,1-6H3

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