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3-dimethylallyl-4-hydroxybenzoate

PropertiesImage
MNX_IDMNXM101966 Image of MNXM101966
referencechebi:74155
formulaC12H13O3
global charge-1
mol weight205.233
InChIKeyLBSJJNAMGVDGCU-UHFFFAOYSA-M
InChIInChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15)/p-1
SMILESCC(C)=CCC1=CC(C(=O)[O-])=CC=C1O
MNX internals
InChI (mnx)InChI=1/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15) Image of MNXM101966
SMILES (mnx)[CH3:1][C:8]([CH3:2])=[CH:3][CH2:4][C:9]1=[C:11]([OH:13])[CH:6]=[CH:5][C:10]([C:12]([OH:14])=[O:15])=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74155
chebi:74155
LBSJJNAMGVDGCU-UHFFFAOYSA-M 		3-dimethylallyl-4-hydroxybenzoate
3-(3,3-dimethylallyl)-4-hydroxybenzoate
4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoate

sabiork.compound:14490
sabiorkM:14490
LBSJJNAMGVDGCU-UHFFFAOYSA-N 		3-Dimethylallyl-4-hydroxybenzoate

seed.compound:cpd09209
seedM:cpd09209
LBSJJNAMGVDGCU-UHFFFAOYSA-M 		3-Dimethylallyl-4-hydroxybenzoate
3-dimethylallyl-4-hydroxybenzoate
4-hydroxy-3-prenylbenzoate

kegg.compound:C12458
keggC:C12458
LBSJJNAMGVDGCU-UHFFFAOYSA-N 		3-Dimethylallyl-4-hydroxybenzoate
4-Hydroxy-3-prenylbenzoate

CHEBI:31111
chebi:31111
LBSJJNAMGVDGCU-UHFFFAOYSA-N 		3-dimethylallyl-4-hydroxybenzoic acid
4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
4-hydroxy-3-prenylbenzoic acid

metacyc.compound:CPD-15423
metacycM:CPD-15423
LBSJJNAMGVDGCU-UHFFFAOYSA-M 		4-hydroxy-3-prenylbenzoate
3-dimethylallyl-4-hydroxybenzoate

chebi:69544
keggC:M_C12458
seedM:M_cpd09209 		secondary/obsolete/fantasy identifier