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CHEBI:199620 - 12E-dechloroisorumbrin

ChEBI IDCHEBI:199620
ChEBI Name12E-dechloroisorumbrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21NO3
Net Charge0
Average Mass323.392
Monoisotopic Mass323.15214
SMILESCOc1cc(/C(C)=C/C=C/C=C/C=C/c2cccn2)oc(=O)c1C
InChIInChI=1S/C20H21NO3/c1-15(18-14-19(23-3)16(2)20(22)24-18)10-7-5-4-6-8-11-17-12-9-13-21-17/h4-14,21H,1-3H3/b6-4+,7-5+,11-8+,15-10+
InChIKeyRDIURKHAMYGJAX-OAJXTGRCSA-N
Species of MetaboliteComponentSourceComments
Gymnoascus reessii (ncbitaxon:69890) - PubMed (17309300)
ChEBI Ontology
Outgoing Relation(s)
12E-dechloroisorumbrin (CHEBI:199620) is a pyranone (CHEBI:37963)
IUPAC Name 
4-methoxy-3-methyl-6-[(2E,4E,6E,8E)-9-(1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]pyran-2-one
Manual XrefsDatabases
17344042ChemSpider