Metabolite

KNApSAcK Entry

id C00013165
Name [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol
CAS RN 128397-60-4
Standard InChI InChI=1S/C28H36O10/c1-15-12-21(34-16(2)30)24(36-18(4)32)27(14-29)22(37-25(33)19-10-8-7-9-11-19)13-20-23(35-17(3)31)28(15,27)38-26(20,5)6/h7-11,15,20-24,29H,12-14H2,1-6H3
Standard InChI (Main Layer) InChI=1S/C28H36O10/c1-15-12-21(34-16(2)30)24(36-18(4)32)27(14-29)22(37-25(33)19-10-8-7-9-11-19)13-20-23(35-17(3)31)28(15,27)38-26(20,5)6/h7-11,15,20-24,29H,12-14H2,1-6H3

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
Maytenus chubutensis 123430 Celastraceae rosids Viridiplantae