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CHEBI:133858 - FK17-P2a

ChEBI IDCHEBI:133858
ChEBI NameFK17-P2a
Stars
DefinitionA dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a methyl group at position e and by a at positions 3 and 4-hydroxy-2-oxopentyl group at position 6. A fungal metabolite isolated from Pseudobotrytis and Aspergillus niger (stereochemistry not been determined).
Last Modified2 March 2017
SubmitterJubra
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCc1c(O)cc(CC(=O)CC(C)O)c(C=O)c1O
InChIInChI=1S/C13H16O5/c1-7(15)3-10(16)4-9-5-12(17)8(2)13(18)11(9)6-14/h5-7,15,17-18H,3-4H2,1-2H3
InChIKeyXLOIAYVHYLKCIY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (22921072)
Pseudobotrytis (ncbitaxon:1293528) - Article (Mycoscience 2004, 45, 9-16) Isolated from forest soil collected on Yakushima Island, Kagoshima Prefecture, Japan. Strain: FKA-25
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
FK17-P2a (CHEBI:133858) has role Aspergillus metabolite (CHEBI:76956)
FK17-P2a (CHEBI:133858) is a dihydroxybenzaldehyde (CHEBI:50196)
FK17-P2a (CHEBI:133858) is a secondary alcohol (CHEBI:35681)
FK17-P2a (CHEBI:133858) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde