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3-dimethylallyl-4-hydroxymandelate

PropertiesImage
MNX_IDMNXM6089 Image of MNXM6089
referencechebi:136890
formulaC13H15O4
global charge-1
mol weight235.259
InChIKeyVBHJEUYYPUPECH-UHFFFAOYSA-M
InChIInChI=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
SMILESCC(C)=CCC1=C(O)C=CC(C(O)C(=O)[O-])=C1
MNX internals
InChI (mnx)InChI=1/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)/t12? Image of MNXM6089
SMILES (mnx)[CH3:1][C:8]([CH3:2])=[CH:3][CH2:4][C:9]1=[C:11]([OH:14])[CH:6]=[CH:5][C:10]([CH:12]([C:13](=[O:16])[OH:17])[OH:15])=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136890
chebi:136890
VBHJEUYYPUPECH-UHFFFAOYSA-M 		3-dimethylallyl-4-hydroxymandelate
4-hydroxy-3-prenylmandelate
hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetate

kegg.compound:C12457
keggC:C12457
VBHJEUYYPUPECH-UHFFFAOYSA-N 		3-Dimethylallyl-4-hydroxymandelic acid
3-Dimethylallyl-4-hydroxymandelate
4-Hydroxy-3-prenylmandelate

seed.compound:cpd09208
seedM:cpd09208
VBHJEUYYPUPECH-UHFFFAOYSA-M 		3-Dimethylallyl-4-hydroxymandelic acid
3-dimethylallyl-4-hydroxymandelate
4-hydroxy-3-prenylmandelate

CHEBI:31112
chebi:31112
VBHJEUYYPUPECH-UHFFFAOYSA-N 		3-dimethylallyl-4-hydroxymandelic acid
4-hydroxy-3-prenylmandelic acid
hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid

metacyc.compound:CPD-15502
metacycM:CPD-15502
VBHJEUYYPUPECH-UHFFFAOYSA-M 		4-hydroxy-3-prenylmandelate
2-hydroxy-2-(4-hydroxy-3-prenylphenyl)acetate
3-dimethylallyl-4-hydroxymandelate

keggC:M_C12457
seedM:M_cpd09208 		secondary/obsolete/fantasy identifier