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CHEBI:198499 - Monascusazaphilone A

ChEBI IDCHEBI:198499
ChEBI NameMonascusazaphilone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O4
Net Charge0
Average Mass372.505
Monoisotopic Mass372.23006
SMILESC/C=C/C1=CC2=CC(=O)[C@]3(C)OC(CCCCCCC)(OC)C[C@@H]3C2=CO1
InChIInChI=1S/C23H32O4/c1-5-7-8-9-10-12-23(25-4)15-20-19-16-26-18(11-6-2)13-17(19)14-21(24)22(20,3)27-23/h6,11,13-14,16,20H,5,7-10,12,15H2,1-4H3/b11-6+/t20-,22-,23?/m1/s1
InChIKeyACLSAOLGJZSVPQ-PAKVMFNUSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (23013165)
ChEBI Ontology
Outgoing Relation(s)
Monascusazaphilone A (CHEBI:198499) is a ketal (CHEBI:59777)
IUPAC Name 
(6aR,9aR)-8-heptyl-8-methoxy-6a-methyl-3-[(E)-prop-1-enyl]-9,9a-dihydrouro[2,3-h]isochromen-6-one
Manual XrefsDatabases
78440735ChemSpider