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CHEBI:6094 - Justicidin B

Default Structure
ChEBI IDCHEBI:6094
ChEBI NameJusticidin B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H16O6
Net Charge0
Average Mass364.353
Monoisotopic Mass364.09469
SMILESCOc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
InChIInChI=1S/C21H16O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-8H,9-10H2,1-2H3
InChIKeyRTDRYYULUYRTAN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Justicidin B (CHEBI:6094) is a lignan (CHEBI:25036)
Synonym  Source
Justicidin BKEGG COMPOUND
Manual XrefsDatabases
C00000701KNApSAcK
C10636KEGG COMPOUND
Registry NumbersSources
CAS:17951-19-8KEGG COMPOUND