CHEBI:117073 - LSM-28520

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ChEBI Name LSM-28520
ChEBI ID CHEBI:117073
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H17NO4
Net Charge 0
Average Mass 287.311
Monoisotopic Mass 287.11576
InChI InChI=1S/C16H17NO4/c1-16(2)7-13(18)11(14(19)8-16)9-17-12-6-4-3-5-10(12)15(20)21/h3-6,9,11H,7-8H2,1-2H3,(H,20,21)
InChIKey QICUJNDCYAGOBK-UHFFFAOYSA-N
SMILES CC1(CC(=O)C(C(=O)C1)C=NC2=CC=CC=C2C(=O)O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing LSM-28520 (CHEBI:117073) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-28520 LINCS
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