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CHEBI:226260 - 4-[(3-methyl-2-butenyl)oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic acid methyl ester

ChEBI IDCHEBI:226260
ChEBI Name4-[(3-methyl-2-butenyl)oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESCOc1c(C)c(OCC=C(C)C)c2c(c1C(=O)O)C(=O)OC2
InChIInChI=1S/C16H18O6/c1-8(2)5-6-21-13-9(3)14(20-4)12(15(17)18)11-10(13)7-22-16(11)19/h5H,6-7H2,1-4H3,(H,17,18)
InChIKeyDAGARMDGUIPZPH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lachnum papyraceum (ncbitaxon:397620) - DOI (10.1021/np970145s)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[(3-methyl-2-butenyl)oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic acid methyl ester (CHEBI:226260) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-3-oxo-1H-2-benzouran-4-carboxylic acid
Manual XrefsDatabases
10282308ChemSpider