CHEBI:80746 - Baldrinal

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ChEBI Name Baldrinal
ChEBI ID CHEBI:80746
Stars This entity has been manually annotated by a third party.
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Formula C12H10O4
Net Charge 0
Average Mass 218.20540
Monoisotopic Mass 218.05791
InChI InChI=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
InChIKey QIUOVIRIFZOCLL-UHFFFAOYSA-N
SMILES CC(=O)OCc1cocc2c(C=O)ccc12
ChEBI Ontology
Outgoing Baldrinal (CHEBI:80746) is a arenecarbaldehyde (CHEBI:33855)
Manual Xref Database
C16811 KEGG COMPOUND
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Registry Number Type Source
18234-46-3 CAS Registry Number KEGG COMPOUND