Aspergifuranone (CHEBI:201339)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Aspergifuranone

ChEBI ID	CHEBI:201339

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H20O7

Net Charge

Average Mass

372.373

Monoisotopic Mass

372.12090

InChI

InChI=1S/C20H20O7/c1-4-5-13-7-11-8-15(23)20(3,18(24)17(11)26-13)27-19(25)16-10(2)6-12(21)9-14(16)22/h4-7,9,15,21-23H,8H2,1-3H3/b5-4+/t15-,20-/m1/s1

InChIKey

JOYCBRUDRSSQCN-XHSUDLSASA-N

SMILES

O=C1C=2OC(/C=C/C)=CC2C[C@H]([C@]1(OC(=O)C3=C(O)C=C(O)C=C3C)C)O

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Aspergifuranone (CHEBI:201339) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

[(5R,6R)-5-hydroxy-6-methyl-7-oxo-2-[(E)-prop-1-enyl]-4,5-dihydro-1-benzouran-6-yl] 2,4-dihydroxy-6-methylbenzoate