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CHEBI:202658 - Spicifernin

Default Structure
ChEBI IDCHEBI:202658
ChEBI NameSpicifernin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O6
Net Charge0
Average Mass286.324
Monoisotopic Mass286.14164
SMILESCCC(C)(C(=O)CC(C(=O)O)C(C)C(C)=O)C(=O)OC
InChIInChI=1S/C14H22O6/c1-6-14(4,13(19)20-5)11(16)7-10(12(17)18)8(2)9(3)15/h8,10H,6-7H2,1-5H3,(H,17,18)
InChIKeyQIXCNKKDVZBJLN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Curvulariaspeciescifera (ncbitaxon:145392) - DOI (10.1016/0031-9422(90)85006-2)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spicifernin (CHEBI:202658) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
5-methoxycarbonyl-5-methyl-4-oxo-2-(3-oxobutan-2-yl)heptanoic acid
Manual XrefsDatabases
78444022ChemSpider