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CHEBI:192355 - westerdijkin A

ChEBI IDCHEBI:192355
ChEBI Namewesterdijkin A
Stars
DefinitionA 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.
Last Modified7 June 2022
SubmitterAdnan
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESC=C(C)C(O)COc1ccc(CC(=O)OC)cc1
InChIInChI=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
InChIKeyPYYHOQKLLMMOGK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus westerdijkiae (ncbitaxon:357447) - PubMed ( 25325177) Strain: SCSIO 05233
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
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