Metabolite

KNApSAcK Entry

id C00010689
Name [1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha]-7-(acetyloxy)-1-(beta-D-glucopyranosyl)-1,4a,5,6,7,7a-hexahydro-5-[(4-hydroxy-3,5-dimethoxybenzoyl)-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
CAS RN 86450-76-2
Standard InChI InChI=1S/C28H36O16/c1-11(30)44-28(2)8-16(41-24(35)12-6-14(37-3)20(31)15(7-12)38-4)18-13(25(36)39-5)10-40-26(19(18)28)43-27-23(34)22(33)21(32)17(9-29)42-27/h6-7,10,16-19,21-23,26-27,29,31-34H,8-9H2,1-5H3/t16?,17?,18?,19?,21-,22?,23+,26?,27-,28?/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H36O16/c1-11(30)44-28(2)8-16(41-24(35)12-6-14(37-3)20(31)15(7-12)38-4)18-13(25(36)39-5)10-40-26(19(18)28)43-27-23(34)22(33)21(32)17(9-29)42-27/h6-7,10,16-19,21-23,26-27,29,31-34H,8-9H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 8713

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL2048636

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
Salvia digitaloides 268902 Lamiaceae asterids Viridiplantae