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CHEBI:217616 - Monascusazaphilone B

ChEBI IDCHEBI:217616
ChEBI NameMonascusazaphilone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESC/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@@H](CC(=O)CCCCCCC)C2=CO1
InChIInChI=1S/C22H30O4/c1-4-6-7-8-9-11-17(23)14-20-19-15-26-18(10-5-2)12-16(19)13-21(24)22(20,3)25/h5,10,12-13,15,20,25H,4,6-9,11,14H2,1-3H3/b10-5+/t20-,22-/m0/s1
InChIKeyMHWBFDUHIHLTGI-WQEYGMFTSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (23013165)
ChEBI Ontology
Outgoing Relation(s)
Monascusazaphilone B (CHEBI:217616) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(7S,8S)-7-hydroxy-7-methyl-8-(2-oxononyl)-3-[(E)-prop-1-enyl]-8H-isochromen-6-one
Manual XrefsDatabases
78441550ChemSpider