EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:133825 - fonsecin B

ChEBI IDCHEBI:133825
ChEBI Namefonsecin B
Stars
DefinitionA naphtho-γ-pyrone that is fonsecin in which the hydroxy group at position 8 (meta to the methoxy group) has been converted to the corresponding methyl ether. Found in Aspergillus fonsecaeus.
Last Modified25 January 2020
SubmitterJubra
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESCOc1cc(OC)c2c(O)c3c(cc2c1)OC(C)(O)CC3=O
InChIInChI=1S/C16H16O6/c1-16(19)7-10(17)14-12(22-16)5-8-4-9(20-2)6-11(21-3)13(8)15(14)18/h4-6,18-19H,7H2,1-3H3
InChIKeyZYTKFYQKQVYVMW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus carbonarius (ncbitaxon:40993) - PubMed (4837062) From a mutant of Aspergillus fonsecaeus N.R.R L. 67,O 16-1, also known as Aspergillus carbonarius
Alternaria alternata (ncbitaxon:5599) - PubMed (22377027) From the culture of Alternaria alternata strain D2006, isolated from the marine soft coral Denderonephthya hemprichi Strain: D2006
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
fonsecin B (CHEBI:133825) has functional parent fonsecin (CHEBI:64543)
fonsecin B (CHEBI:133825) has role Aspergillus metabolite (CHEBI:76956)
fonsecin B (CHEBI:133825) is a aromatic ether (CHEBI:35618)
fonsecin B (CHEBI:133825) is a cyclic hemiketal (CHEBI:59780)
fonsecin B (CHEBI:133825) is a naphtho-γ-pyrone (CHEBI:64542)
fonsecin B (CHEBI:133825) is a phenols (CHEBI:33853)
IUPAC Name 
2,5-dihydroxy-6,8-dimethoxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-one
Synonyms  Source
TMC256B2SUBMITTER
TMC 256 B2ChEBI
TMC-256B2ChEBI
2,5-dihydroxy-6,8-dimethoxy-2-methyl-2,3-dihydro-4H-naphtho[2,3-b]pyran-4-oneChEBI
2,5-dihydroxy-6,8-dimethoxy-2-methyl-2.3-dihydrobenzo[g]chromen-4-oneChEBI
fonsecin monomethyl etherChemIDplus
UniProt Name  Source
fonsecin BUniProt
Registry NumbersSources
Reaxys:1292349Reaxys
CAS:1856-95-7ChemIDplus
Citations