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CHEBI:218450 - 5-(3',3'-dimethylallyloxy)-2-methoxycarbonyl-3-methoxy-4-methylbenzoic acid

ChEBI IDCHEBI:218450
ChEBI Name5-(3',3'-dimethylallyloxy)-2-methoxycarbonyl-3-methoxy-4-methylbenzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCOC(=O)c1c(C(=O)O)cc(OCC=C(C)C)c(C)c1OC
InChIInChI=1S/C16H20O6/c1-9(2)6-7-22-12-8-11(15(17)18)13(16(19)21-5)14(20-4)10(12)3/h6,8H,7H2,1-5H3,(H,17,18)
InChIKeyJHZWDWULMWXMAU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis photiniae (ncbitaxon:289238) - PubMed (21915132)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-(3',3'-dimethylallyloxy)-2-methoxycarbonyl-3-methoxy-4-methylbenzoic acid (CHEBI:218450) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
3-methoxy-2-methoxycarbonyl-4-methyl-5-(3-methylbut-2-enoxy)benzoic acid
Manual XrefsDatabases
78434893ChemSpider