PCIDB

KNApSAcK Metabolite C00013171

Metabolite

KNApSAcK Entry

id C00013171
Name [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 4,5,10-triacetate 6-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol
CAS RN 114226-31-2
Standard InChI InChI=1S/C28H36O10/c1-15(29)34-21-20-22(35-16(2)30)28(38-25(20,4)5)26(6,33)14-13-19(27(28,7)23(21)36-17(3)31)37-24(32)18-11-9-8-10-12-18/h8-12,19-23,33H,13-14H2,1-7H3
Standard InChI (Main Layer) InChI=1S/C28H36O10/c1-15(29)34-21-20-22(35-16(2)30)28(38-25(20,4)5)26(6,33)14-13-19(27(28,7)23(21)36-17(3)31)37-24(32)18-11-9-8-10-12-18/h8-12,19-23,33H,13-14H2,1-7H3

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