PCIDB

KNApSAcK Metabolite C00044513

Metabolite

KNApSAcK Entry

id C00044513
Name Ajugasalicioside H / (-)-Ajugasalicioside H
CAS RN 503623-38-9
Standard InChI InChI=1S/C53H88O24/c1-6-22-14-29(77-53(22,5)20-69-49-45(41(65)37(61)32(18-56)73-49)75-47-43(67)39(63)35(59)30(16-54)71-47)21(2)34-28(58)15-27-25-8-7-23-13-24(9-11-51(23,3)26(25)10-12-52(27,34)4)70-50-46(42(66)38(62)33(19-57)74-50)76-48-44(68)40(64)36(60)31(17-55)72-48/h8,21-24,26-50,54-68H,6-7,9-20H2,1-5H3/t21-,22+,23+,24+,26+,27+,28+,29-,30-,31-,32-,33-,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47+,48+,49-,50-,51+,52+,53-/m1/s1
Standard InChI (Main Layer) InChI=1S/C53H88O24/c1-6-22-14-29(77-53(22,5)20-69-49-45(41(65)37(61)32(18-56)73-49)75-47-43(67)39(63)35(59)30(16-54)71-47)21(2)34-28(58)15-27-25-8-7-23-13-24(9-11-51(23,3)26(25)10-12-52(27,34)4)70-50-46(42(66)38(62)33(19-57)74-50)76-48-44(68)40(64)36(60)31(17-55)72-48/h8,21-24,26-50,54-68H,6-7,9-20H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL450854

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
Ajuga salicifolia 38595 Lamiaceae asterids Viridiplantae