CHEBI:70011 - comazaphilone B

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ChEBI Name comazaphilone B
ChEBI ID CHEBI:70011
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 (3,4-dihydroxy-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
Download Molfile XML SDF
Formula C22H26O8
Net Charge 0
Average Mass 418.43700
Monoisotopic Mass 418.16277
InChI InChI=1S/C22H26O8/c1-5-6-13-8-12-9-16(24)22(3,20(26)14(12)10-29-13)30-21(27)17-11(2)7-15(23)18(25)19(17)28-4/h7-8,16,23-25H,5-6,9-10H2,1-4H3/t16-,22-/m1/s1
InChIKey UIYAMSRXSZRILG-OPAMFIHVSA-N
SMILES CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)c(O)c1OC)[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 B (CHEBI:70011) has role Penicillium metabolite (CHEBI:76964)
comazaphilone B (CHEBI:70011) is a aromatic ether (CHEBI:35618)
comazaphilone B (CHEBI:70011) is a azaphilone (CHEBI:50941)
comazaphilone B (CHEBI:70011) is a benzoate ester (CHEBI:36054)
comazaphilone B (CHEBI:70011) is a catechols (CHEBI:33566)
comazaphilone B (CHEBI:70011) is a isochromenes (CHEBI:38761)
IUPAC Name
rel-(6R,7R)-6-hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate
Registry Number Type Source
21312870 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21226488 PubMed citation Europe PMC
Last Modified
07 November 2013