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CHEBI:203526 - Monaphilone A

ChEBI IDCHEBI:203526
ChEBI NameMonaphilone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESC/C=C/C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@@H](CC(=O)CCCCCCC)C2
InChIInChI=1S/C22H32O4/c1-4-6-7-8-9-11-18(23)14-17-12-16-13-19(10-5-2)26-15-20(16)21(24)22(17,3)25/h5,10,13,17,25H,4,6-9,11-12,14-15H2,1-3H3/b10-5+/t17-,22-/m1/s1
InChIKeyKEBWHEAOCGBCRK-KCRKHPKBSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (20597545)
ChEBI Ontology
Outgoing Relation(s)
Monaphilone A (CHEBI:203526) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6R,7R)-7-hydroxy-7-methyl-6-(2-oxononyl)-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-8-one
Manual XrefsDatabases
78440949ChemSpider