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3-dimethylallyl-4-hydroxyphenylpyruvate

PropertiesImage
MNX_IDMNXM5518 Image of MNXM5518
referencechebi:74408
formulaC14H15O4
global charge-1
mol weight247.27
InChIKeyVRMYGSOHQOAIFX-UHFFFAOYSA-M
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
SMILESCC(C)=CCC1=C(O)C=CC(CC(=O)C(=O)[O-])=C1
MNX internals
InChI (mnx)InChI=1/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) Image of MNXM5518
SMILES (mnx)[CH3:1][C:9]([CH3:2])=[CH:3][CH2:5][C:11]1=[C:12]([OH:15])[CH:6]=[CH:4][C:10]([CH2:8][C:13]([C:14]([OH:17])=[O:18])=[O:16])=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74408
chebi:74408
VRMYGSOHQOAIFX-UHFFFAOYSA-M 		3-dimethylallyl-4-hydroxyphenylpyruvate
3-(3,3-dimethylallyl)-4-hydroxyphenylpyruvate(1-)
3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate
3-dimethylallyl-4-hydroxyphenylpyruvate(1-)
3DMA-4HPP

metacyc.compound:CPD-15467
metacycM:CPD-15467
VRMYGSOHQOAIFX-UHFFFAOYSA-M 		(4-hydroxy-3-prenylphenyl)pyruvate
3-[4-hydroxy- 3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate
3-dimethylallyl-4-hydroxyphenylpyruvate

kegg.compound:C12456
keggC:C12456
VRMYGSOHQOAIFX-UHFFFAOYSA-N 		3-Dimethylallyl-4-hydroxyphenylpyruvate
3-(4-Hydroxy-3-prenylphenyl)pyruvate
3-[4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl]-2-oxopropanoate

seed.compound:cpd09207
seedM:cpd09207
VRMYGSOHQOAIFX-UHFFFAOYSA-M 		3-Dimethylallyl-4-hydroxyphenylpyruvate
3-[4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl]-2-oxopropanoate
3-[4-hydroxy- 3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate
3-dimethylallyl-4-hydroxyphenylpyruvate
4-hydroxy-3-prenylphenylpyruvate

CHEBI:31113
chebi:31113
VRMYGSOHQOAIFX-UHFFFAOYSA-N 		3-dimethylallyl-4-hydroxyphenylpyruvic acid
3-(3,3-dimethylallyl)-4-hydroxyphenylpyruvic acid
3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoic acid

keggC:M_C12456
seedM:M_cpd09207 		secondary/obsolete/fantasy identifier