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CHEBI:152052 - agnestin A

ChEBI IDCHEBI:152052
ChEBI Nameagnestin A
Stars
DefinitionA member of the class of xanthones that is 1,2-dihydro-9H-xanthen-9-one substituted by a carboxy group at position 1R, hydroxy groups at positions 2R and 8, and a methyl group at position 3. It has been isolated from the fungus Paecilomyces variotti.
Last Modified4 June 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESCC1=Cc2oc3cccc(O)c3c(=O)c2[C@@H](C(=O)O)[C@H]1O
InChIInChI=1S/C15H12O6/c1-6-5-9-11(12(13(6)17)15(19)20)14(18)10-7(16)3-2-4-8(10)21-9/h2-5,12-13,16-17H,1H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyPFGOJDXPCPCBJM-OLZOCXBDSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces variotti (ncbitaxon:264951) - PubMed (30746079) Strain: K5103
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
agnestin A (CHEBI:152052) has role fungal metabolite (CHEBI:76946)
agnestin A (CHEBI:152052) is a monocarboxylic acid (CHEBI:25384)
agnestin A (CHEBI:152052) is a phenols (CHEBI:33853)
agnestin A (CHEBI:152052) is a secondary alcohol (CHEBI:35681)
agnestin A (CHEBI:152052) is a xanthones (CHEBI:51149)
IUPAC Name 
(1R,2R)-2,8-dihydroxy-3-methyl-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylic acid
Citations