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(Q82036134)
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English
4-(3-methylbut-2-enoxy)benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
206.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄O₃
0 references
canonical SMILES
O=C(O)C1=CC=C(OCC=C(C)C)C=C1
0 references
found in taxon
Zanthoxylum wutaiense
1 reference
stated in
Constituents of the root wood of Zanthoxylum wutaiense with antitubercular activity
Aegle marmelos
2 references
stated in
Marmenol: a 7-geranyloxycoumarin from the leaves of Aegle marmelos Corr
stated in
Alkaloid and coumarins from the green fruits of Aegle marmelos.
Citrus medica
1 reference
stated in
A new flavonoid and other new components from Citrus plants.
Hyuganatsu
2 references
stated in
A new flavonoid and other new components from Citrus plants.
stated in
A new flavonoid and other new components from Citrus plants.
Talaromyces derxii
2 references
stated in
Three p-hydroxybenzoic acid derivatives from Talaromyces derxii
stated in
A dioxopiperazine derivative from Penicillium megasporum
Zanthoxylum nitidum
1 reference
stated in
New benzenoids and anti-inflammatory constituents from Zanthoxylum nitidum
Penicillium derxii
2 references
stated in
Three p-hydroxybenzoic acid derivatives from Talaromyces derxii
stated in
A dioxopiperazine derivative from Penicillium megasporum
Citrus × paradisi
1 reference
stated in
A New Biscoumarin from Citrus Plants
celery
1 reference
stated in
Vegetable Signatures Derived from Human Urinary Metabolomic Data in Controlled Feeding Studies
Kumquat
1 reference
stated in
A new flavonoid and other new components from Citrus plants.
Citrus japonica
1 reference
stated in
A new flavonoid and other new components from Citrus plants.
Identifiers
InChI
InChI=1S/C12H14O3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-7H,8H2,1-2H3,(H,13,14)
0 references
InChIKey
KLZJDQVTNOMAKU-UHFFFAOYSA-N
0 references
CAS Registry Number
28090-15-5
0 references
PubChem CID
267137
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KLZJDQVTNOMAKU-UHFFFAOYSA-N
UniChem compound ID
209336
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20295911
1 reference
matched by identifier from
InChIKey
InChIKey
KLZJDQVTNOMAKU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50247049
0 references
NSC number
106253
0 references
Human Metabolome Database ID
HMDB0302558
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KLZJDQVTNOMAKU-UHFFFAOYSA-N
KNApSAcK ID
C00040614
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KLZJDQVTNOMAKU-UHFFFAOYSA-N
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