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(Q104963330)
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English
2-(4-methylphenyl)propan-1-ol
group of stereoisomers with the chemical formula C₁₀H₁₄O
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Statements
instance of
group of stereoisomers
0 references
subclass of
menthane monoterpenoids
1 reference
inferred from
menthane monoterpenoids
mass
150.104465068
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₄O
0 references
canonical SMILES
OCC(C1=CC=C(C=C1)C)C
0 references
found in taxon
Daucus carota
1 reference
stated in
Essential-oil composition of Daucus carota ssp. major (Pastinocello Carrot) and nine different commercial varieties of Daucus carota ssp. sativus fruits.
Picradeniopsis schaffneri var. aristata
1 reference
stated in
The monoterpene 9-hydroxythymol from Bahia schaffneri var. aristata
Bahia schaffneri var. aristata
1 reference
stated in
The monoterpene 9-hydroxythymol from Bahia schaffneri var. aristata
Identifiers
InChI
InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3
0 references
InChIKey
CLFDIFDNDWRHJF-UHFFFAOYSA-N
0 references
CAS Registry Number
4371-50-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
95376
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CLFDIFDNDWRHJF-UHFFFAOYSA-N
ChEBI ID
195898
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3
SureChEMBL ID
SCHEMBL4492702
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CLFDIFDNDWRHJF-UHFFFAOYSA-N
UniChem compound ID
24984995
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801018187
1 reference
matched by identifier from
InChIKey
InChIKey
CLFDIFDNDWRHJF-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0034846
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CLFDIFDNDWRHJF-UHFFFAOYSA-N
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