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CHEBI:201218 - Rosellisin aldehyde

ChEBI IDCHEBI:201218
ChEBI NameRosellisin aldehyde
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O7
Net Charge0
Average Mass268.221
Monoisotopic Mass268.05830
SMILESCOC(=O)/C=C/c1oc(=O)c(CO)c(OC)c1C=O
InChIInChI=1S/C12H12O7/c1-17-10(15)4-3-9-7(5-13)11(18-2)8(6-14)12(16)19-9/h3-5,14H,6H2,1-2H3/b4-3+
InChIKeyDATBPJHLCDVQPV-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Hypomyces rosellus (ncbitaxon:5132) - DOI (10.1016/s0031-9422(00)84424-6)
ChEBI Ontology
Outgoing Relation(s)
Rosellisin aldehyde (CHEBI:201218) is a pyranone (CHEBI:37963)
IUPAC Name 
methyl (E)-3-[3-ormyl-5-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoate
Manual XrefsDatabases
9283477ChemSpider