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CHEBI:2373 - acamelin

ChEBI IDCHEBI:2373
ChEBI Nameacamelin
Stars
DefinitionA member of the class of 1-benzofurans that is 1-benzofuran-4,7-dione bearing additional methyl and methoxy substituents at positions 2 and 7 respectively.
Last Modified3 June 2016
DownloadsMolfile
FormulaC10H8O4
Net Charge0
Average Mass192.170
Monoisotopic Mass192.04226
SMILESCOC1=CC(=O)c2cc(C)oc2C1=O
InChIInChI=1S/C10H8O4/c1-5-3-6-7(11)4-8(13-2)9(12)10(6)14-5/h3-4H,1-2H3
InChIKeyDNQLVCZXYPFUHF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
acamelin (CHEBI:2373) is a p-quinones (CHEBI:25830)
acamelin (CHEBI:2373) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
6-methoxy-2-methyl-1-benzofuran-4,7-dione
Synonym  Source
AcamelinKEGG COMPOUND
Manual XrefsDatabases
C10290KEGG COMPOUND
C00002784KNApSAcK
Registry NumbersSources
Reaxys:4672741Reaxys
CAS:74161-27-6KEGG COMPOUND
CAS:74161-27-6ChemIDplus