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CHEBI:210674 - Pyrronazol A2

ChEBI IDCHEBI:210674
ChEBI NamePyrronazol A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17ClN2O5
Net Charge0
Average Mass364.785
Monoisotopic Mass364.08260
SMILESCOC1=CC(=O)O[C@H](c2coc(/C(=C\c3ccc(Cl)n3)CO)n2)[C@@H]1C
InChIInChI=1S/C17H17ClN2O5/c1-9-13(23-2)6-15(22)25-16(9)12-8-24-17(20-12)10(7-21)5-11-3-4-14(18)19-11/h3-6,8-9,16,19,21H,7H2,1-2H3/b10-5-/t9-,16+/m1/s1
InChIKeyZFKNRTLKFAAYBN-WMETXBJESA-N
Species of MetaboliteComponentSourceComments
Nannocystis (ncbitaxon:53) - PubMed (24460410)
ChEBI Ontology
Outgoing Relation(s)
Pyrronazol A2 (CHEBI:210674) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S,3S)-2-[2-[(Z)-1-(5-chloro-1H-pyrrol-2-yl)-3-hydroxyprop-1-en-2-yl]-1,3-oxazol-4-yl]-4-methoxy-3-methyl-2,3-dihydropyran-6-one
Manual XrefsDatabases
58825866ChemSpider