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CHEBI:227418 - Rubropunctatine

ChEBI IDCHEBI:227418
ChEBI NameRubropunctatine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESC/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@@]3(C)C(=O)C2=CO1
InChIInChI=1S/C21H22O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1
InChIKeySULYDLFVUNXAMP-WKOQKXSESA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - DOI (10.1039/jr9590003598)
ChEBI Ontology
Outgoing Relation(s)
Rubropunctatine (CHEBI:227418) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]uro[3,2-g]isochromene-2,9-dione
Manual XrefsDatabases
4954878ChemSpider