CHEBI:64543 - fonsecin

ChEBI IDCHEBI:64543
ChEBI Namefonsecin
Stars
DefinitionA naphtho-γ-pyrone that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2, a methoxy substituent at position 6 and three hydroxy substituents at positions 2, 5 and 8.
Last Modified25 January 2020
SubmitterSteve
DownloadsMolfile
FormulaC15H14O6
Net Charge0
Average Mass290.271
Monoisotopic Mass290.07904
SMILESCOc1cc(O)cc2cc3c(c(O)c12)C(=O)CC(C)(O)O3
InChIInChI=1S/C15H14O6/c1-15(19)6-9(17)13-11(21-15)4-7-3-8(16)5-10(20-2)12(7)14(13)18/h3-5,16,18-19H,6H2,1-2H3
InChIKeyFKCYENFBFZUSDP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - PubMed (22377027) From the culture of Alternaria alternata strain D2006, isolated from the marine soft coral Denderonephthya hemprichi Strain: D2006
Aspergillus niger (ncbitaxon:5061) - PubMed (27245874) From the fermentation of the marine-mudflat-derived fungus Aspergillus niger in the presence of metal bromides NaBr and CaBr2
Aspergillus carbonarius (ncbitaxon:40993) - PubMed (18205129) From the AcOEt extract Strain: WZ-4-11
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
fonsecin (CHEBI:64543) has role Aspergillus metabolite (CHEBI:76956)
fonsecin (CHEBI:64543) has role marine metabolite (CHEBI:76507)
fonsecin (CHEBI:64543) is a aromatic ether (CHEBI:35618)
fonsecin (CHEBI:64543) is a cyclic hemiketal (CHEBI:59780)
fonsecin (CHEBI:64543) is a heptaketide (CHEBI:59872)
fonsecin (CHEBI:64543) is a naphtho-γ-pyrone (CHEBI:64542)
fonsecin (CHEBI:64543) is a phenols (CHEBI:33853)
Incoming Relation(s)
fonsecin B (CHEBI:133825) has functional parent fonsecin (CHEBI:64543)
IUPAC Name 
2,5,8-trihydroxy-6-methoxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-one
UniProt Name  Source
fonsecinUniProt
Registry NumbersSources
Reaxys:1257750Reaxys
CAS:3748-39-8ChemIDplus
Citations