Metabolite

KNApSAcK Entry

id C00013169
Name [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,5-bis(Acetyloxy)-6-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid
CAS RN 110559-18-7
Standard InChI InChI=1S/C32H37NO10/c1-18(34)39-24-23-25(42-28(37)21-13-10-16-33-17-21)32(43-29(23,3)4)30(5,38)15-14-22(31(32,6)26(24)40-19(2)35)41-27(36)20-11-8-7-9-12-20/h7-13,16-17,22-26,38H,14-15H2,1-6H3/t22-,23+,24-,25?,26+,30-,31-,32-/m0/s1
Standard InChI (Main Layer) InChI=1S/C32H37NO10/c1-18(34)39-24-23-25(42-28(37)21-13-10-16-33-17-21)32(43-29(23,3)4)30(5,38)15-14-22(31(32,6)26(24)40-19(2)35)41-27(36)20-11-8-7-9-12-20/h7-13,16-17,22-26,38H,14-15H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 168

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