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CHEBI:227871 - Pyrronazol B

ChEBI IDCHEBI:227871
ChEBI NamePyrronazol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17ClN2O4
Net Charge0
Average Mass348.786
Monoisotopic Mass348.08768
SMILESCOC1=CC(=O)O[C@@H](c2coc(/C(C)=C/c3ccc(Cl)n3)n2)[C@H]1C
InChIInChI=1S/C17H17ClN2O4/c1-9(6-11-4-5-14(18)19-11)17-20-12(8-23-17)16-10(2)13(22-3)7-15(21)24-16/h4-8,10,16,19H,1-3H3/b9-6+/t10-,16+/m0/s1
InChIKeyHVDWUEDXQDMWCX-CPGSKVSJSA-N
Species of MetaboliteComponentSourceComments
Nannocystis (ncbitaxon:53) - PubMed (24460410)
ChEBI Ontology
Outgoing Relation(s)
Pyrronazol B (CHEBI:227871) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,3R)-2-[2-[(E)-1-(5-chloro-1H-pyrrol-2-yl)prop-1-en-2-yl]-1,3-oxazol-4-yl]-4-methoxy-3-methyl-2,3-dihydropyran-6-one
Manual XrefsDatabases
78437845ChemSpider