Aspergifuranone (CHEBI:201339)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201339 - Aspergifuranone

Take structure to advanced search

ChEBI ID	CHEBI:201339
ChEBI Name	Aspergifuranone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H20O7
Net Charge	0
Average Mass	372.373
Monoisotopic Mass	372.12090
SMILES	C/C=C/c1cc2c(o1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)cc1O)[C@H](O)C2
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

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (25996099)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
35516989	ChemSpider