EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6093 - Justicidin A

ChEBI IDCHEBI:6093
ChEBI NameJusticidin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H18O7
Net Charge0
Average Mass394.379
Monoisotopic Mass394.10525
SMILESCOc1cc2c(OC)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
InChIInChI=1S/C22H18O7/c1-24-16-7-12-13(8-17(16)25-2)21(26-3)14-9-27-22(23)20(14)19(12)11-4-5-15-18(6-11)29-10-28-15/h4-8H,9-10H2,1-3H3
InChIKeyANFSXHKDCKWWDB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Justicidin A (CHEBI:6093) is a lignan (CHEBI:25036)
Synonym  Source
Justicidin AKEGG COMPOUND
Manual XrefsDatabases
C10633KEGG COMPOUND
C00000700KNApSAcK
Registry NumbersSources
CAS:25001-57-4KEGG COMPOUND