CHEBI:70010 - comazaphilone A

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ChEBI Name comazaphilone A
ChEBI ID CHEBI:70010
Definition An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a propyl group at position 3 and a (4-hydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium commune.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H26O7
Net Charge 0
Average Mass 402.43760
Monoisotopic Mass 402.16785
InChI InChI=1S/C22H26O7/c1-5-6-15-8-13-9-18(24)22(3,20(25)16(13)11-28-15)29-21(26)19-12(2)7-14(23)10-17(19)27-4/h7-8,10,18,23-24H,5-6,9,11H2,1-4H3/t18-,22-/m1/s1
InChIKey BJMHMPAXPWFBRJ-XMSQKQJNSA-N
SMILES CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)cc1OC)[C@H](O)C2
Metabolite of Species Details
Penicillium commune (NCBI:txid36653) Found in mycelium (BTO:0001436). Methanolic extract of mycelia and ethyl acetate extract of culture broth of strain QSD 17 See: PubMed
Roles Classification
Biological Role(s): Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in Penicillium.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via azaphilone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing comazaphilone A (CHEBI:70010) has role Penicillium metabolite (CHEBI:76964)
comazaphilone A (CHEBI:70010) is a aromatic ether (CHEBI:35618)
comazaphilone A (CHEBI:70010) is a azaphilone (CHEBI:50941)
comazaphilone A (CHEBI:70010) is a benzoate ester (CHEBI:36054)
comazaphilone A (CHEBI:70010) is a isochromenes (CHEBI:38761)
comazaphilone A (CHEBI:70010) is a phenols (CHEBI:33853)
IUPAC Name
rel-(6R,7R)-6-hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate
Registry Number Type Source
21312866 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21226488 PubMed citation Europe PMC
Last Modified
07 November 2013