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CHEBI:226004 - Auxarconjugatin A

ChEBI IDCHEBI:226004
ChEBI NameAuxarconjugatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18ClNO3
Net Charge0
Average Mass343.810
Monoisotopic Mass343.09752
SMILESCOc1cc(/C=C/C=C/C=C/C=C/c2nccc2Cl)oc(=O)c1C
InChIInChI=1S/C19H18ClNO3/c1-14-18(23-2)13-15(24-19(14)22)9-7-5-3-4-6-8-10-17-16(20)11-12-21-17/h3-13,21H,1-2H3/b5-3+,6-4+,9-7+,10-8+
InChIKeyPVDBICYNLATHGO-MIIZMDLZSA-N
Species of MetaboliteComponentSourceComments
Malbranchea conjugata (ncbitaxon:113403) - DOI (10.1016/s0031-9422(99)00237-x)
ChEBI Ontology
Outgoing Relation(s)
Auxarconjugatin A (CHEBI:226004) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(1E,3E,5E,7E)-8-(3-chloro-1H-pyrrol-2-yl)octa-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one
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26362067ChemSpider