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CHEBI:198040 - Monascusazaphilone C

ChEBI IDCHEBI:198040
ChEBI NameMonascusazaphilone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O7
Net Charge0
Average Mass416.470
Monoisotopic Mass416.18350
SMILESCCCCCC(=O)C1C(=O)O[C@@]2(C)C(=O)C=C3C=C(CC(C)OC(C)=O)OC=C3[C@@H]12
InChIInChI=1S/C23H28O7/c1-5-6-7-8-18(25)20-21-17-12-28-16(9-13(2)29-14(3)24)10-15(17)11-19(26)23(21,4)30-22(20)27/h10-13,20-21H,5-9H2,1-4H3/t13?,20?,21-,23-/m0/s1
InChIKeyVWMGKDJYFULQOS-GNLWIDDRSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (23013165)
ChEBI Ontology
Outgoing Relation(s)
Monascusazaphilone C (CHEBI:198040) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
1-[(6aR,9aR)-9-hexanoyl-6a-methyl-6,8-dioxo-9,9a-dihydrouro[2,3-h]isochromen-3-yl]propan-2-yl acetate
Manual XrefsDatabases
78440707ChemSpider