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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:669 - 1-phenylethanol
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ChEBI Ontology
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ChEBI Name
1-phenylethanol
ChEBI ID
CHEBI:669
Definition
An aromatic alcohol that is ethanol substituted by a phenyl group at position 1.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H10O
Net Charge
0
Average Mass
122.16440
Monoisotopic Mass
122.07316
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey
WAPNOHKVXSQRPX-UHFFFAOYSA-N
SMILES
CC(O)c1ccccc1
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-phenylethanol (
CHEBI:669
)
has role
mouse metabolite (
CHEBI:75771
)
1-phenylethanol (
CHEBI:669
)
is a
aromatic alcohol (
CHEBI:33854
)
Incoming
(
R
)-1-phenylethanol (
CHEBI:45616
)
is a
1-phenylethanol (
CHEBI:669
)
(
S
)-1-phenylethanol (
CHEBI:16346
)
is a
1-phenylethanol (
CHEBI:669
)
IUPAC Name
1-phenylethanol
Synonyms
Sources
(1-Hydroxyethyl)benzene
ChemIDplus
1-Phenethyl alcohol
ChemIDplus
1-phenylethanol
UniProt
1-Phenylethanol
KEGG COMPOUND
α-methylbenzenemethanol
NIST Chemistry WebBook
alpha-Methylbenzyl alcohol
KEGG COMPOUND
α-phenylethanol
NIST Chemistry WebBook
α-phenylethyl alcohol
NIST Chemistry WebBook
Methylphenyl carbinol
KEGG COMPOUND
Styrallyl alcohol
ChemIDplus
Manual Xref
Database
C07112
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1905149
Beilstein Registry Number
Beilstein
1905149
Reaxys Registry Number
Reaxys
2959
Gmelin Registry Number
Gmelin
98-85-1
CAS Registry Number
NIST Chemistry WebBook
98-85-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16226717
PubMed citation
Europe PMC
24392725
PubMed citation
Europe PMC
24945457
PubMed citation
Europe PMC
Last Modified
09 July 2020