CHEBI:133858 - FK17-P2a

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ChEBI Name FK17-P2a
ChEBI ID CHEBI:133858
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
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Formula C13H16O5
Net Charge 0
Average Mass 252.264
Monoisotopic Mass 252.09977
InChI InChI=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
InChIKey XLOIAYVHYLKCIY-UHFFFAOYSA-N
SMILES C=1(C(=CC(=C(C1O)C)O)CC(CC(C)O)=O)C=O
Metabolite of Species Details
Pseudobotrytis (NCBI:txid1293528) Isolated from forest soil collected on Yakushima Island, Kagoshima Prefecture, Japan. of strain FKA-25 See: Mycoscience 2004, 45, 9-16
Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
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ChEBI Ontology
Outgoing FK17-P2a (CHEBI:133858) has role Aspergillus metabolite (CHEBI:76956)
FK17-P2a (CHEBI:133858) is a β-hydroxy ketone (CHEBI:55380)
FK17-P2a (CHEBI:133858) is a dihydroxybenzaldehyde (CHEBI:50196)
FK17-P2a (CHEBI:133858) is a secondary alcohol (CHEBI:35681)
IUPAC Name
2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde
Last Modified
02 March 2017