CHEBI:107530 - 2-[(3-fluorophenyl)-(2-pyridinylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone

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ChEBI Name 2-[(3-fluorophenyl)-(2-pyridinylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone
ChEBI ID CHEBI:107530
Stars This entity has been manually annotated by a third party.
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Formulae C18H15FN2O4
C18H15FN2O4
Net Charge 0
Average Mass 342.322
Monoisotopic Mass 342.10159
InChI InChI=1S/C18H15FN2O4/c19-12-5-3-4-11(8-12)16(21-15-6-1-2-7-20-15)18-17(24)14(23)9-13(10-22)25-18/h1-9,16,22,24H,10H2,(H,20,21)
InChIKey PIMBWGQKUSYHBN-UHFFFAOYSA-N
SMILES C1=CC=NC(=C1)NC(C2=CC(=CC=C2)F)C3=C(C(=O)C=C(O3)CO)O
ChEBI Ontology
Outgoing 2-[(3-fluorophenyl)-(2-pyridinylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone (CHEBI:107530) is a 4-pyranones (CHEBI:131906)
Manual Xref Database
LSM-18886 LINCS
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Last Modified
11 May 2016