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CHEBI:224543 - Monascopyridine A

ChEBI IDCHEBI:224543
ChEBI NameMonascopyridine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO4
Net Charge0
Average Mass355.434
Monoisotopic Mass355.17836
SMILESC/C=C/c1cc2c(cn1)C(=O)[C@@]1(C)OC(=O)[C@@H](C(=O)CCCCC)[C@@H]1C2
InChIInChI=1S/C21H25NO4/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/h5,8,10,12,16,18H,4,6-7,9,11H2,1-3H3/b8-5+/t16-,18+,21-/m0/s1
InChIKeyXZLAVLLIHLWTLQ-SFHCNVCLSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (12926903)
ChEBI Ontology
Outgoing Relation(s)
Monascopyridine A (CHEBI:224543) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3R,3aS,9aS)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3a,4-dihydro-3H-uro[3,2-g]isoquinoline-2,9-dione
Manual XrefsDatabases
78441414ChemSpider