PCIDB

KNApSAcK Metabolite C00043217

Metabolite

KNApSAcK Entry

id C00043217
Name 6,9-Epi-8-O-acetylshanziside methyl ester / (-)-6,9-Epi-8-O-acetylshanziside methyl ester
CAS RN 760984-32-5
Standard InChI InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10+,11-,12-,13+,14-,15+,17-,18-,19-/m0/s1
Standard InChI (Main Layer) InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 56

Link

ChEMBL

By standard InChI CHEMBL463377
By standard InChI Main Layer CHEMBL463751 CHEMBL463377

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eremostachys glabra 1138124 Lamiaceae asterids Viridiplantae