Metabolite

KNApSAcK Entry

id C00013155
Name [3S-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-6-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4H-3,9a-methano-1-benzoxepin-4-one
CAS RN 107602-76-6
Standard InChI InChI=1S/C28H34O11/c1-15(29)35-14-27-19(38-24(33)18-10-8-7-9-11-18)12-13-26(6,34)28(27)22(36-16(2)30)20(25(4,5)39-28)21(32)23(27)37-17(3)31/h7-11,19-20,22-23,34H,12-14H2,1-6H3
Standard InChI (Main Layer) InChI=1S/C28H34O11/c1-15(29)35-14-27-19(38-24(33)18-10-8-7-9-11-18)12-13-26(6,34)28(27)22(36-16(2)30)20(25(4,5)39-28)21(32)23(27)37-17(3)31/h7-11,19-20,22-23,34H,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
Rzedowskia tolantonguensis 123468 Celastraceae rosids Viridiplantae