Metabolite

KNApSAcK Entry

id C00013154
Name [3S-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol, 5-acetate 4,6-dibenzoate
CAS RN 107602-78-8
Standard InChI InChI=1S/C33H38O11/c1-19(34)40-18-32-23(42-28(37)21-12-8-6-9-13-21)16-17-31(5,39)33(32)26(36)24(30(3,4)44-33)25(27(32)41-20(2)35)43-29(38)22-14-10-7-11-15-22/h6-15,23-27,36,39H,16-18H2,1-5H3
Standard InChI (Main Layer) InChI=1S/C33H38O11/c1-19(34)40-18-32-23(42-28(37)21-12-8-6-9-13-21)16-17-31(5,39)33(32)26(36)24(30(3,4)44-33)25(27(32)41-20(2)35)43-29(38)22-14-10-7-11-15-22/h6-15,23-27,36,39H,16-18H2,1-5H3

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