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CHEBI:227824 - Rubropunctamine

ChEBI IDCHEBI:227824
ChEBI NameRubropunctamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23NO4
Net Charge0
Average Mass353.418
Monoisotopic Mass353.16271
SMILESC/C=C/c1cc2c(cn1)C(=O)[C@@]1(C)OC(=O)C(=C(O)CCCCC)C1=C2
InChIInChI=1S/C21H23NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10-12,23H,4,6-7,9H2,1-3H3/b8-5+,18-17?/t21-/m0/s1
InChIKeyWTEXYKPGDKLLCW-DPMJYTIISA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - DOI (10.1021/jf00108a023)
ChEBI Ontology
Outgoing Relation(s)
Rubropunctamine (CHEBI:227824) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-(1-hydroxyhexylidene)-9a-methyl-6-[(E)-prop-1-enyl]uro[3,2-g]isoquinoline-2,9-dione
Manual XrefsDatabases
78435074ChemSpider