CHEBI:192355 - westerdijkin A

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ChEBI Name westerdijkin A
ChEBI ID CHEBI:192355
Definition A methyl ester resulting from the formal condensation of the the carboxy group of {4-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]phenyl}acetic acid with methanol. It is a natural product isolated from the culture of the deep sea-derived fungus Aspergillus westerdijkiae SCSIO 05233.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H18O4
Net Charge 0
Average Mass 250.294
Monoisotopic Mass 250.12051
InChI InChI=1S/C14H18O4/c1-10(2)13(15)9-18-12-6-4-11(5-7-12)8-14(16)17-3/h4-7,13,15H,1,8-9H2,2-3H3
InChIKey PYYHOQKLLMMOGK-UHFFFAOYSA-N
SMILES COC(=O)CC1=CC=C(OCC(O)C(C)=C)C=C1
Metabolite of Species Details
Aspergillus westerdijkiae (NCBI:txid357447) of strain SCSIO 05233 See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing westerdijkin A (CHEBI:192355) has functional parent 2-[4-(2-hydroxy-3-methylbut-3-enoxy)phenyl]acetic acid (CHEBI:181540)
westerdijkin A (CHEBI:192355) has role Aspergillus metabolite (CHEBI:76956)
westerdijkin A (CHEBI:192355) has role marine metabolite (CHEBI:76507)
westerdijkin A (CHEBI:192355) is a aromatic ether (CHEBI:35618)
westerdijkin A (CHEBI:192355) is a benzenes (CHEBI:22712)
westerdijkin A (CHEBI:192355) is a methyl ester (CHEBI:25248)
westerdijkin A (CHEBI:192355) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name
methyl {4-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]phenyl}acetate
Citations Waiting for Citations Types Sources
25325177 PubMed citation Europe PMC
29867059 PubMed citation Europe PMC
Last Modified
07 June 2022