EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2884 - Aspidinol

ChEBI IDCHEBI:2884
ChEBI NameAspidinol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCCCC(=O)c1c(O)cc(OC)c(C)c1O
InChIInChI=1S/C12H16O4/c1-4-5-8(13)11-9(14)6-10(16-3)7(2)12(11)15/h6,14-15H,4-5H2,1-3H3
InChIKeyGJRJTYFSORWKBE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aspidinol (CHEBI:2884) has functional parent phloroglucinol (CHEBI:16204)
Aspidinol (CHEBI:2884) is a carboxylic ester (CHEBI:33308)
Synonym  Source
AspidinolKEGG COMPOUND
Manual XrefsDatabases
C10673KEGG COMPOUND
C00002691KNApSAcK
Registry NumbersSources
CAS:519-40-4KEGG COMPOUND