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CHEBI:220705 - Microsphaerone B

ChEBI IDCHEBI:220705
ChEBI NameMicrosphaerone B
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SubmitterMetaboLights
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FormulaC17H21NO5
Net Charge0
Average Mass319.357
Monoisotopic Mass319.14197
SMILESNC(=O)c1coc(/C=C/C=C/CCCCCCC(=O)O)cc1=O
InChIInChI=1S/C17H21NO5/c18-17(22)14-12-23-13(11-15(14)19)9-7-5-3-1-2-4-6-8-10-16(20)21/h3,5,7,9,11-12H,1-2,4,6,8,10H2,(H2,18,22)(H,20,21)/b5-3+,9-7+
InChIKeyIGOIDGWJMMAZDD-WJDMQLPWSA-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)
Microsphaerone B (CHEBI:220705) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(8E,10E)-11-(5-carbamoyl-4-oxopyran-2-yl)undeca-8,10-dienoic acid
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9133366ChemSpider