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(S)-prunasin

PropertiesImage
MNX_IDMNXM31875 Image of MNXM31875
referencechebi:27761
formulaC14H17NO6
global charge0
mol weight295.291
InChIKeyZKSZEJFBGODIJW-YOVYLDAJSA-N
InChIInChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1
SMILESN#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1 Image of MNXM31875
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([C@@H:9]([C:6]#[N:15])[O:20][C@H:14]2[C@H:13]([OH:19])[C@@H:12]([OH:18])[C@H:11]([OH:17])[C@@H:10]([CH2:7][OH:16])[O:21]2)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27761
chebi:27761
ZKSZEJFBGODIJW-YOVYLDAJSA-N 		(S)-prunasin
(2S)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile
(2S)-sambunigrin
(S)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile
(S)-Mandelonitrile beta-D-glucoside
(S)-O-beta-D-glucopyranosylmandelonitrile
(S)-mandelonitrile beta-D-glucoside
(S)-sambunigrin
L-prunasin
sambunigrin

kegg.compound:C04273
keggC:C04273
ZKSZEJFBGODIJW-YOVYLDAJSA-N 		(S)-Mandelonitrile beta-D-glucoside

seed.compound:cpd02620
seedM:cpd02620
ZKSZEJFBGODIJW-YOVYLDAJSA-N 		(S)-Mandelonitrile beta-D-glucoside
(S)-mandelonitrile beta-D-glucoside
(S)-prunasin
prulaurasin
sambunigrin

sabiork.compound:7198
sabiorkM:7198
ZKSZEJFBGODIJW-YOVYLDAJSA-N 		(S)-Mandelonitrile beta-D-glucoside
Sambunigrin
hmdb:HMDB0034981
ZKSZEJFBGODIJW-YOVYLDAJSA-N 		Sambunigrin
(2S)-(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile
(2S)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
(2S)-Sambunigrin
(S)-(b-D-Glucopyranosyloxy)(phenyl)acetonitrile
(S)-(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile
(S)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile
(S)-Mandelonitrile b-D-glucoside
(S)-Mandelonitrile beta-D-glucoside
(S)-O-b-D-Glucopyranosylmandelonitrile
(S)-O-beta-D-Glucopyranosylmandelonitrile
(S)-O-beta-D-glucopyranosylmandelonitrile
(S)-Prunasin
(S)-Sambunigrin
(S)-prunasin
L-Prunasin

metacyc.compound:CPD-20541
metacycM:CPD-20541
ZKSZEJFBGODIJW-YOVYLDAJSA-N 		sambunigrin
(S)-mandelonitrile beta-D-glucoside
(S)-prunasin
prulaurasin

hmdb:HMDB34981
chebi:18788
chebi:426
keggC:M_C04273
seedM:M_cpd02620 		secondary/obsolete/fantasy identifier