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CHEBI:88177 - bis(trimethylsilyl)isovanillate

ChEBI IDCHEBI:88177
ChEBI Namebis(trimethylsilyl)isovanillate
Stars
DefinitionA benzoate ester that is 3-hydroxy-4-methoxybenzoic acid in which the carboxy and phenolic hydrogens are replaced by trimethylsilyl groups.
Last Modified23 May 2016
Submittermwilliams
DownloadsMolfile
FormulaC14H24O4Si2
Net Charge0
Average Mass312.514
Monoisotopic Mass312.12131
SMILESCOc1ccc(C(=O)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C14H24O4Si2/c1-16-12-9-8-11(14(15)18-20(5,6)7)10-13(12)17-19(2,3)4/h8-10H,1-7H3
InChIKeyDSTNHSZUWMFBDU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (26175011)
- MetaboLights (MTBLS226)
ChEBI Ontology
Outgoing Relation(s)
bis(trimethylsilyl)isovanillate (CHEBI:88177) has functional parent 3-hydroxy-4-methoxybenzoic acid (CHEBI:63798)
bis(trimethylsilyl)isovanillate (CHEBI:88177) is a benzoate ester (CHEBI:36054)
bis(trimethylsilyl)isovanillate (CHEBI:88177) is a monomethoxybenzene (CHEBI:25235)
bis(trimethylsilyl)isovanillate (CHEBI:88177) is a silyl ether (CHEBI:47988)
IUPAC Name 
trimethylsilyl 4-methoxy-3-[(trimethylsilyl)oxy]benzoate
Synonym  Source
4-methoxy-3-[(trimethylsilyl)oxy]benzoic acid (trimethylsilyl) esterChEBI
Registry NumbersSources
Reaxys:2871592Reaxys
CAS:68595-68-6NIST Chemistry WebBook