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CHEBI:223801 - 12E-bromoisorumbrin

ChEBI IDCHEBI:223801
ChEBI Name12E-bromoisorumbrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20BrNO3
Net Charge0
Average Mass402.288
Monoisotopic Mass401.06266
SMILESCOc1cc(/C(C)=C/C=C/C=C/C=C/c2nccc2Br)oc(=O)c1C
InChIInChI=1S/C20H20BrNO3/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+
InChIKeyKBQKGOONYFCSHH-NBWHIMRISA-N
Species of MetaboliteComponentSourceComments
Gymnoascus reessii (ncbitaxon:69890) - PubMed (17309300)
ChEBI Ontology
Outgoing Relation(s)
12E-bromoisorumbrin (CHEBI:223801) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(2E,4E,6E,8E)-9-(3-bromo-1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one
Manual XrefsDatabases
17344041ChemSpider