PCIDB

KNApSAcK Metabolite C00033721

Metabolite

KNApSAcK Entry

id C00033721
Name Ciliatoside A / (-)-Ciliatoside A
CAS RN 303084-57-3
Standard InChI InChI=1S/C36H40O19/c1-45-21-6-15-16(7-22(21)46-2)30(17-8-47-32(43)25(17)24(15)14-3-4-20-23(5-14)53-13-52-20)54-35-31(55-34-29(42)27(40)19(38)10-49-34)36(44,12-51-35)11-50-33-28(41)26(39)18(37)9-48-33/h3-7,18-19,26-29,31,33-35,37-42,44H,8-13H2,1-2H3/t18-,19+,26+,27+,28-,29-,31+,33+,34+,35?,36-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H40O19/c1-45-21-6-15-16(7-22(21)46-2)30(17-8-47-32(43)25(17)24(15)14-3-4-20-23(5-14)53-13-52-20)54-35-31(55-34-29(42)27(40)19(38)10-49-34)36(44,12-51-35)11-50-33-28(41)26(39)18(37)9-48-33/h3-7,18-19,26-29,31,33-35,37-42,44H,8-13H2,1-2H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL497767 CHEMBL502183

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 ciliata 4190 Acanthaceae asterids Viridiplantae