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CHEBI:2745 - Annuloline

ChEBI IDCHEBI:2745
ChEBI NameAnnuloline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H19NO4
Net Charge0
Average Mass337.375
Monoisotopic Mass337.13141
SMILESCOc1ccc(-c2cnc(/C=C/c3ccc(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C20H19NO4/c1-22-16-8-6-15(7-9-16)19-13-21-20(25-19)11-5-14-4-10-17(23-2)18(12-14)24-3/h4-13H,1-3H3/b11-5+
InChIKeyVGJRJYYLGKAWDE-VZUCSPMQSA-N
ChEBI Ontology
Outgoing Relation(s)
Annuloline (CHEBI:2745) is a methoxybenzenes (CHEBI:51683)
Synonym  Source
AnnulolineKEGG COMPOUND
Manual XrefsDatabases
C10570KEGG COMPOUND
C00002315KNApSAcK
Registry NumbersSources
CAS:3988-51-0KEGG COMPOUND