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CHEBI:181064 - [7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate

ChEBI IDCHEBI:181064
ChEBI Name[7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O7
Net Charge0
Average Mass400.427
Monoisotopic Mass400.15220
SMILESC/C=C/C1=CC2=C(CO1)C(=O)C(C)(O)C(OC(=O)c1c(C)cc(OC)cc1O)C2
InChIInChI=1S/C22H24O7/c1-5-6-14-8-13-9-18(22(3,26)20(24)16(13)11-28-14)29-21(25)19-12(2)7-15(27-4)10-17(19)23/h5-8,10,18,23,26H,9,11H2,1-4H3/b6-5+
InChIKeyVNQRSFQBEKLVHZ-AATRIKPKSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
[7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate (CHEBI:181064) is a azaphilone (CHEBI:50941)
IUPAC Name 
[7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
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