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CHEBI:214396 - Pyranone C

ChEBI IDCHEBI:214396
ChEBI NamePyranone C
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FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESO=C(O)CCC[C@@H](O)C#CC#C[C@@H]1O[C@H]1CO
InChIInChI=1S/C12H14O5/c13-8-11-10(17-11)6-2-1-4-9(14)5-3-7-12(15)16/h9-11,13-14H,3,5,7-8H2,(H,15,16)/t9-,10-,11-/m0/s1
InChIKeyFJJWCOKCAIWBLP-DCAQKATOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pyranone C (CHEBI:214396) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(5R)-5-hydroxy-9-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]nona-6,8-diynoic acid
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