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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16660 - (
S
)-4-hydroxymandelonitrile
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ChEBI Ontology
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ChEBI Name
(
S
)-4-hydroxymandelonitrile
ChEBI ID
CHEBI:16660
ChEBI ASCII Name
(S)-4-hydroxymandelonitrile
Definition
A 4-hydroxymandelonitrile that has (
S
)-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:41985, CHEBI:406, CHEBI:11053, CHEBI:18759
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Formula
C8H7NO2
Net Charge
0
Average Mass
149.14672
Monoisotopic Mass
149.04768
InChI
InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1
InChIKey
HOOOPXDSCKBLFG-MRVPVSSYSA-N
SMILES
O[C@H](C#N)c1ccc(O)cc1
ChEBI Ontology
Outgoing
(
S
)-4-hydroxymandelonitrile (
CHEBI:16660
)
is a
4-hydroxymandelonitrile (
CHEBI:18115
)
IUPAC Name
(2
S
)-hydroxy(4-hydroxyphenyl)acetonitrile
Synonyms
Sources
(S)-4-Hydroxymandelonitrile
KEGG COMPOUND
(
S
)-4-hydroxymandelonitrile
UniProt
Manual Xrefs
Databases
C03742
KEGG COMPOUND
DB03430
DrugBank
DHR
PDBeChem
View more database links
Registry Numbers
Types
Sources
13093-65-7
CAS Registry Number
ChemIDplus
3589471
Reaxys Registry Number
Reaxys
Last Modified
08 April 2015