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(S)-prunasin

Properties

Image

Occurences in reactions

MNX_ID

MNXM31875

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₄H₁₇NO₆

charge

mass

295.10559

reference

InChIKey

ZKSZEJFBGODIJW-YOVYLDAJSA-N

InChI

InChI=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

SMILES

N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27761 chebi:27761	(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	(S)-Mandelonitrile beta-D-glucoside
seed.compound:cpd02620 seedM:cpd02620	(S)-Mandelonitrile beta-D-glucoside (S)-mandelonitrile beta-D-glucoside (S)-prunasin prulaurasin sambunigrin
sabiork.compound:7198 sabiorkM:7198	(S)-Mandelonitrile beta-D-glucoside Sambunigrin
hmdb:HMDB0034981	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)-Mandelonitrile b-D-glucoside (S)-Mandelonitrile beta-D-glucoside (S)-Prunasin (S)-prunasin L-Prunasin
metacyc.compound:CPD-20541 metacycM:CPD-20541	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