EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:80746 - Baldrinal

ChEBI IDCHEBI:80746
ChEBI NameBaldrinal
Stars
DownloadsMolfile
FormulaC12H10O4
Net Charge0
Average Mass218.208
Monoisotopic Mass218.05791
SMILESCC(=O)OCc1cocc2c(C=O)ccc1-2
InChIInChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3
InChIKeyQIUOVIRIFZOCLL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Baldrinal (CHEBI:80746) is a arenecarbaldehyde (CHEBI:33855)
Manual XrefsDatabases
C16811KEGG COMPOUND
Registry NumbersSources
CAS:18234-46-3KEGG COMPOUND