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CHEBI:205388 - Novae-zelandin B

ChEBI IDCHEBI:205388
ChEBI NameNovae-zelandin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCOc1cc(=O)oc(C)c1C/C=C/C(=O)O
InChIInChI=1S/C11H12O5/c1-7-8(4-3-5-10(12)13)9(15-2)6-11(14)16-7/h3,5-6H,4H2,1-2H3,(H,12,13)/b5-3+
InChIKeyOUSIFRGZULVWQP-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Alternaria infectoria (ncbitaxon:45303) - PubMed (16302758)
ChEBI Ontology
Outgoing Relation(s)
Novae-zelandin B (CHEBI:205388) is a pyranone (CHEBI:37963)
IUPAC Name 
(E)-4-(4-methoxy-2-methyl-6-oxopyran-3-yl)but-2-enoic acid
Manual XrefsDatabases
78435350ChemSpider