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CHEBI:207646 - Auxarconjugatin B

ChEBI IDCHEBI:207646
ChEBI NameAuxarconjugatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16ClNO3
Net Charge0
Average Mass329.783
Monoisotopic Mass329.08187
SMILESCOc1cc(/C=C/C=C/C=C/C=C/c2nccc2Cl)oc(=O)c1
InChIInChI=1S/C18H16ClNO3/c1-22-15-12-14(23-18(21)13-15)8-6-4-2-3-5-7-9-17-16(19)10-11-20-17/h2-13,20H,1H3/b4-2+,5-3+,8-6+,9-7+
InChIKeyORHPDAGHBWRDQP-VTXBTNDESA-N
Species of MetaboliteComponentSourceComments
Malbranchea conjugata (ncbitaxon:113403) - DOI (10.1016/s0031-9422(99)00237-x)
ChEBI Ontology
Outgoing Relation(s)
Auxarconjugatin B (CHEBI:207646) 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-methoxypyran-2-one
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26364045ChemSpider