agnestin B (CHEBI:152053)

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ChEBI Name	agnestin B

ChEBI ID	CHEBI:152053

Definition	A member of the class of xanthones that is agnestin A in which the double bond between positions 3 and 4 has been reduced and the carboxlic acid group at position 1 forms a single bond with the carbon atom at position 3 resulting in a cyclic ester. It has been isolated from the fungus Paecilomyces variotti.

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C15H12O6

Net Charge

Average Mass

288.255

Monoisotopic Mass

288.06339

InChI

InChI=1S/C15H12O6/c1-15-5-8-10(11(13(15)18)14(19)21-15)12(17)9-6(16)3-2-4-7(9)20-8/h2-4,11,13,16,18H,5H2,1H3/t11-,13-,15+/m1/s1

InChIKey

OYXUFBCXEHRKBW-KYOSRNDESA-N

SMILES

C1(=CC=CC2=C1C(C=3[C@@H]4[C@H]([C@@](CC3O2)(C)OC4=O)O)=O)O

Metabolite of Species	Details
Paecilomyces var.otti (NCBI:txid264951)	See: PubMed

Roles Classification
Biological Role(s):	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	agnestin B (CHEBI:152053) has role fungal metabolite (CHEBI:76946) agnestin B (CHEBI:152053) is a γ-lactone (CHEBI:37581) agnestin B (CHEBI:152053) is a organic heterotetracyclic compound (CHEBI:38163) agnestin B (CHEBI:152053) is a phenols (CHEBI:33853) agnestin B (CHEBI:152053) is a secondary alcohol (CHEBI:35681) agnestin B (CHEBI:152053) is a xanthones (CHEBI:51149)

IUPAC Name

(1R,4S,12R)-10,12-dihydroxy-4-methyl-4H-1,4-methanooxepino[4,5-b]chromene-2,11(1H,5H)-dione

Synonym	Source
(1R,4S,12R)-10,12-dihydroxy-4-methyl-4H-1,4-methanooxepino[4,5-b][1]benzopyran-2,11(1H,5H)-dione	IUPAC

Citation	Type	Source
30746079	PubMed citation	SUBMITTER

Last Modified

04 June 2020