Metabolite

KNApSAcK Entry

id C00036364
Name 1,1,5-Trimethyl-2-hydroxymethyl-(5)-cyclohexene-(4)-one-O-beta-D-glucopyranoside / (-)-1,1,5-Trimethyl-2-hydroxymethyl-(5)-cyclohexene-(4)-one-O-beta-D-glucopyranoside
CAS RN 349545-12-6
Standard InChI InChI=1S/C16H26O7/c1-8-5-16(2,3)9(4-10(8)18)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h5,9,11-15,17,19-21H,4,6-7H2,1-3H3/t9?,11-,12-,13+,14-,15-/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H26O7/c1-8-5-16(2,3)9(4-10(8)18)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h5,9,11-15,17,19-21H,4,6-7H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4135

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Prangos tschimganica 52496 Apiaceae asterids Viridiplantae