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CHEBI:188909 - 2-Formylphenylboronic acid neopentyl glycol ester

Default Structure
ChEBI IDCHEBI:188909
ChEBI Name2-Formylphenylboronic acid neopentyl glycol ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15BO3
Net Charge0
Average Mass218.061
Monoisotopic Mass218.11142
SMILESCC1(C)COB(c2ccccc2C=O)OC1
InChIInChI=1S/C12H15BO3/c1-12(2)8-15-13(16-9-12)11-6-4-3-5-10(11)7-14/h3-7H,8-9H2,1-2H3
InChIKeyBJRXNDLMZZAOAB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
2-Formylphenylboronic acid neopentyl glycol ester (CHEBI:188909) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
Manual XrefsDatabases
3408304ChemSpider