ascomycotin A (CHEBI:192286)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	ascomycotin A

ChEBI ID	CHEBI:192286

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O7

Net Charge

Average Mass

320.297

Monoisotopic Mass

320.08960

InChI

InChI=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

InChIKey

VAHJXVKDXVRZAF-SSDOTTSWSA-N

SMILES

COC(=O)C1=C2C(OCC3=C2O[C@H](C)CC3=O)=C(O)C(OC)=C1

Metabolite of Species	Details
Ascomycota sp. Ind19F07 (NCBI:txid1583058)	See: PubMed

Roles Classification
Biological Role(s):	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

ChEBI Ontology
Outgoing	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-carboxylate	IUPAC

Last Modified

06 June 2022