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(S)-4-hydroxymandelonitrile

PropertiesImage
MNX_IDMNXM768 Image of MNXM768
referencechebi:16660
formulaC8H7NO2
global charge0
mol weight149.149
InChIKeyHOOOPXDSCKBLFG-MRVPVSSYSA-N
InChIInChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1
SMILESN#C[C@@H](O)C1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1 Image of MNXM768
SMILES (mnx)[CH:1]1=[CH:3][C:7]([OH:10])=[CH:4][CH:2]=[C:6]1[C@@H:8]([C:5]#[N:9])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)16
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16660
chebi:16660
HOOOPXDSCKBLFG-MRVPVSSYSA-N 		(S)-4-hydroxymandelonitrile
(2S)-hydroxy(4-hydroxyphenyl)acetonitrile
(S)-4-Hydroxymandelonitrile

kegg.compound:C03742
keggC:C03742
HOOOPXDSCKBLFG-MRVPVSSYSA-N 		(S)-4-Hydroxymandelonitrile
hmdb:HMDB0060318
HOOOPXDSCKBLFG-MRVPVSSYSA-N 		(S)-4-Hydroxymandelonitrile
(2S)-2-hydroxy-2-(4-hydroxyphenyl)acetonitrile
(2s)-2-Hydroxy-2-(4-hydroxyphenyl)acetonitrile
(S)-4-hydroxymandelonitrile
(alphaS)-alpha,4-Dihydroxybenzeneacetonitrile
(p-Hydroxyphenyl)glycolonitrile
2-Hydroxy-2-(4-hydroxyphenyl)acetonitrile
4-Hydroxymandelonitrile
alpha,4-Dihydroxybenzeneacetonitrile
p-Hydroxymandelonitrile

seed.compound:cpd02346
seedM:cpd02346
HOOOPXDSCKBLFG-MRVPVSSYSA-N 		(S)-4-Hydroxymandelonitrile
(2S)-hydroxy(4-hydroxyphenyl)acetonitrile
(S)-4-hydroxymandelonitrile

sabiork.compound:6827
sabiorkM:6827
HOOOPXDSCKBLFG-MRVPVSSYSA-N 		(S)-4-Hydroxymandelonitrile
p-Hydroxy-(S)-mandelonitrile

metacyc.compound:CPD-648
metacycM:CPD-648
HOOOPXDSCKBLFG-MRVPVSSYSA-N 		(S)-4-hydroxymandelonitrile
(2S)-hydroxy(4-hydroxyphenyl)acetonitrile

hmdb:HMDB60318
chebi:11053
chebi:18759
chebi:406
chebi:41985
keggC:M_C03742
seedM:M_cpd02346 		secondary/obsolete/fantasy identifier