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3-dimethylallyl-4-hydroxymandelate

Properties

Image

Occurences in reactions

MNX_ID

MNXM6089

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₃H₁₅O₄

charge

-1

mass

235.09758

reference

InChIKey

VBHJEUYYPUPECH-UHFFFAOYSA-M

InChI

InChI=1S/C13H16O4/c1-8(2)3-4-9-7-10(5-6-11(9)14)12(15)13(16)17/h3,5-7,12,14-15H,4H2,1-2H3,(H,16,17)/p-1

SMILES

CC(C)=CCc1cc(C(O)C(=O)[O-])ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136890 chebi:136890	3-dimethylallyl-4-hydroxymandelate 4-hydroxy-3-prenylmandelate hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetate
hmdb:HMDB0135908	2-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid 2-Hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetate 3-Dimethylallyl-4-hydroxymandelate 3-Dimethylallyl-4-hydroxymandelic acid 4-Hydroxy-3-prenylmandelate 4-Hydroxy-3-prenylmandelic acid hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid
kegg.compound:C12457 keggC:C12457	3-Dimethylallyl-4-hydroxymandelic acid 3-Dimethylallyl-4-hydroxymandelate
seed.compound:cpd09208 seedM:cpd09208	3-Dimethylallyl-4-hydroxymandelic acid 3-dimethylallyl-4-hydroxymandelate 4-hydroxy-3-prenylmandelate
metacyc.compound:CPD-15502 metacycM:CPD-15502	3-dimethylallyl-4-hydroxymandelate 4-hydroxy-3-prenylmandelate
CHEBI:31112 chebi:31112	3-dimethylallyl-4-hydroxymandelic acid 4-hydroxy-3-prenylmandelic acid hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid
keggC:M_C12457 seedM:M_cpd09208	secondary/obsolete/fantasy identifier