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CHEBI:198215 - Rumbrin

ChEBI IDCHEBI:198215
ChEBI NameRumbrin
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SubmitterMetaboLights
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FormulaC20H20ClNO3
Net Charge0
Average Mass357.837
Monoisotopic Mass357.11317
SMILESCOc1cc(/C(C)=C\C=C\C=C\C=C\c2nccc2Cl)oc(=O)c1C
InChIInChI=1S/C20H20ClNO3/c1-14(18-13-19(24-3)15(2)20(23)25-18)9-7-5-4-6-8-10-17-16(21)11-12-22-17/h4-13,22H,1-3H3/b6-4+,7-5+,10-8+,14-9-
InChIKeyTUFFAFAPFQNIRB-KDZWSXRISA-N
Species of MetaboliteComponentSourceComments
Malbranchea umbrina (ncbitaxon:203537) - PubMed (8344869)
ChEBI Ontology
Outgoing Relation(s)
Rumbrin (CHEBI:198215) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(2Z,4E,6E,8E)-9-(3-chloro-1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one
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8017419ChemSpider