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CHEBI:227814 - Penipyridone B

Default Structure
ChEBI IDCHEBI:227814
ChEBI NamePenipyridone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H13NO4
Net Charge0
Average Mass259.261
Monoisotopic Mass259.08446
SMILESCOC(=O)c1cnc([C@@H](O)c2ccccc2)cc1=O
InChIInChI=1S/C14H13NO4/c1-19-14(18)10-8-15-11(7-12(10)16)13(17)9-5-3-2-4-6-9/h2-8,13,17H,1H3,(H,15,16)/t13-/m0/s1
InChIKeyQDYHUYQVPSMWIF-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27359163)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penipyridone B (CHEBI:227814) is a aromatic carboxylic acid (CHEBI:33859)
Penipyridone B (CHEBI:227814) is a pyridines (CHEBI:26421)
IUPAC Name 
methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate
Manual XrefsDatabases
76776212ChemSpider