CHEBI:181393 - 3-Hydroxy-7,8-dimethoxy-6-isopropoxy-2-naphthoate

ChEBI IDCHEBI:181393
ChEBI Name3-Hydroxy-7,8-dimethoxy-6-isopropoxy-2-naphthoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESCOc1c(OC(C)C)cc2cc(O)c(C(=O)O)cc2c1OC
InChIInChI=1S/C16H18O6/c1-8(2)22-13-6-9-5-12(17)11(16(18)19)7-10(9)14(20-3)15(13)21-4/h5-8,17H,1-4H3,(H,18,19)
InChIKeyZGJVTOWBZYBXKU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-7,8-dimethoxy-6-isopropoxy-2-naphthoate (CHEBI:181393) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxylic acid
Manual XrefsDatabases
C21323KEGG COMPOUND
9923473ChemSpider