CHEBI:82240 - Dinoseb acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dinoseb acetate
ChEBI ID CHEBI:82240
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H14N2O6
Net Charge 0
Average Mass 282.24940
Monoisotopic Mass 282.08519
InChI InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3
InChIKey RDJTWDKSYLLHRW-UHFFFAOYSA-N
SMILES CCC(C)c1cc(cc(c1OC(C)=O)[N+]([O-])=O)[N+]([O-])=O
ChEBI Ontology
Outgoing Dinoseb acetate (CHEBI:82240) is a benzoate ester (CHEBI:36054)
Dinoseb acetate (CHEBI:82240) is a phenols (CHEBI:33853)
Manual Xrefs Databases
2762 PPDB
C19119 KEGG COMPOUND
HMDB0032560 HMDB
View more database links
Registry Number Type Source
2813-95-8 CAS Registry Number KEGG COMPOUND