EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192286 - ascomycotin A

ChEBI IDCHEBI:192286
ChEBI Nameascomycotin A
Stars
DefinitionAn organic heterotricyclic compound that is 3,4-dihydro-2H,5H-pyrano[3,2-c]chromene substituted by methyl, oxo, hydroxy, methoxy and methoxycarbonyl groups at positions 2R, 4, 7, 8 and 10, respectively. It is isolated from the fungal strain Ascomycota sp. Ind19F07, which was isolated from the deep sea sediment of the Indian Ocean.
Last Modified6 June 2022
SubmitterAdnan
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOC(=O)c1cc(OC)c(O)c2c1C1=C(CO2)C(=O)C[C@@H](C)O1
InChIInChI=1S/C16H16O7/c1-7-4-10(17)9-6-22-15-12(14(9)23-7)8(16(19)21-3)5-11(20-2)13(15)18/h5,7,18H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyVAHJXVKDXVRZAF-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Ascomycota sp. Ind19F07 (ncbitaxon:1583058) - PubMed (25537370)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
ascomycotin A (CHEBI:192286) has role fungal metabolite (CHEBI:76946)
ascomycotin A (CHEBI:192286) has role marine metabolite (CHEBI:76507)
ascomycotin A (CHEBI:192286) is a aromatic ether (CHEBI:35618)
ascomycotin A (CHEBI:192286) is a cyclic ether (CHEBI:37407)
ascomycotin A (CHEBI:192286) is a cyclic ketone (CHEBI:3992)
ascomycotin A (CHEBI:192286) is a methyl ester (CHEBI:25248)
ascomycotin A (CHEBI:192286) is a organic heterotricyclic compound (CHEBI:26979)
ascomycotin A (CHEBI:192286) is a phenols (CHEBI:33853)
IUPAC Name 
methyl (2R)-7-hydroxy-8-methoxy-2-methyl-4-oxo-3,4-dihydro-2H,5H-pyrano[3,2-c]chromene-10-carboxylate
Synonym  Source
methyl (2R)-7-hydroxy-8-methoxy-2-methyl-4-oxo-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-10-carboxylateIUPAC
Citations