PCIDB

KNApSAcK Metabolite C00010476

Metabolite

KNApSAcK Entry

id C00010476
Name Allobetonicoside
CAS RN 128581-46-4
Standard InChI InChI=1S/C21H30O14/c1-7-4-10(24)21(35-20-17(30)15(28)13(26)9(6-23)33-20)2-3-31-18(11(7)21)34-19-16(29)14(27)12(25)8(5-22)32-19/h2-4,8-9,11-20,22-23,25-30H,5-6H2,1H3/t8?,9?,11-,12+,13+,14?,15?,16-,17-,18-,19-,20-,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H30O14/c1-7-4-10(24)21(35-20-17(30)15(28)13(26)9(6-23)33-20)2-3-31-18(11(7)21)34-19-16(29)14(27)12(25)8(5-22)32-19/h2-4,8-9,11-20,22-23,25-30H,5-6H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 222

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
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Betonica officinalis 53173 Lamiaceae asterids Viridiplantae