PCIDB

KNApSAcK Metabolite C00042144

Metabolite

KNApSAcK Entry

id C00042144
Name 4''-O-Acetylmananthoside B
CAS RN 856676-48-7
Standard InChI InChI=1S/C36H38O18/c1-14(37)51-32-25(12-48-35-29(41)28(40)20(39)11-47-35)53-36(30(42)33(32)52-15(2)38)54-31-18-9-23(45-4)22(44-3)8-17(18)26(27-19(31)10-46-34(27)43)16-5-6-21-24(7-16)50-13-49-21/h5-9,20,25,28-30,32-33,35-36,39-42H,10-13H2,1-4H3/t20-,25+,28-,29+,30+,32-,33+,35-,36-/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H38O18/c1-14(37)51-32-25(12-48-35-29(41)28(40)20(39)11-47-35)53-36(30(42)33(32)52-15(2)38)54-31-18-9-23(45-4)22(44-3)8-17(18)26(27-19(31)10-46-34(27)43)16-5-6-21-24(7-16)50-13-49-21/h5-9,20,25,28-30,32-33,35-36,39-42H,10-13H2,1-4H3

Cluster

Phytochemical cluster No. 22
KCF-S cluster No. 509

Link

ChEMBL

By standard InChI CHEMBL452903
By standard InChI Main Layer CHEMBL452903

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Acanthaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Justicia patentiflora 4190 Acanthaceae asterids Viridiplantae