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CHEBI:74408 - 3-dimethylallyl-4-hydroxyphenylpyruvate(1−)

Default Structure
ChEBI IDCHEBI:74408
ChEBI Name3-dimethylallyl-4-hydroxyphenylpyruvate(1−)
Stars
ASCII Name3-dimethylallyl-4-hydroxyphenylpyruvate(1-)
DefinitionA 2-oxo monocarboxylic acid anion that is the conjugate base of 3-dimethylallyl-4-hydroxyphenylpyruvic acid.
Last Modified10 July 2013
SubmitterKAX
DownloadsMolfile
FormulaC14H15O4
Net Charge-1
Average Mass247.270
Monoisotopic Mass247.09758
SMILESCC(C)=CCc1cc(CC(=O)C(=O)[O-])ccc1O
InChIInChI=1S/C14H16O4/c1-9(2)3-5-11-7-10(4-6-12(11)15)8-13(16)14(17)18/h3-4,6-7,15H,5,8H2,1-2H3,(H,17,18)/p-1
InChIKeyVRMYGSOHQOAIFX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-dimethylallyl-4-hydroxyphenylpyruvate(1−) (CHEBI:74408) has functional parent pyruvate (CHEBI:15361)
3-dimethylallyl-4-hydroxyphenylpyruvate(1−) (CHEBI:74408) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
3-dimethylallyl-4-hydroxyphenylpyruvate(1−) (CHEBI:74408) is conjugate base of 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113)
Incoming Relation(s)
3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) is conjugate acid of 3-dimethylallyl-4-hydroxyphenylpyruvate(1−) (CHEBI:74408)
IUPAC Name 
3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate
Synonyms  Source
3-(3,3-dimethylallyl)-4-hydroxyphenylpyruvate(1−)ChEBI
3DMA-4HPPSUBMITTER
UniProt Name  Source
3-dimethylallyl-4-hydroxyphenylpyruvateUniProt
Manual XrefsDatabases
C12456KEGG COMPOUND
CPD-15467MetaCyc
Registry NumbersSources
Reaxys:21943148Reaxys
Citations