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(R)-prunasin

PropertiesImage
MNX_IDMNXM731718 Image of MNXM731718
referencechebi:17396
formulaC14H17NO6
global charge0
mol weight295.291
InChIKeyZKSZEJFBGODIJW-GMDXDWKASA-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+/m0/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+/m0/s1 Image of MNXM731718
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)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17396
chebi:17396
ZKSZEJFBGODIJW-GMDXDWKASA-N 		(R)-prunasin
(2R)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile
(R)-(beta-D-glucopyranosyloxy)phenylacetonitrile
(R)-Prunasin
(R)-alpha-(beta-D-glucopyranosyloxy)benzene-acetonitrile
(R)-mandelonitrile beta-D-glucopyranoside
(R)-mandelonitrile beta-D-glucoside
D-prunasin
prunasin

sabiork.compound:5270
sabiorkM:5270
ZKSZEJFBGODIJW-GMDXDWKASA-N 		(R)-Prunasin

seed.compound:cpd00628
seedM:cpd00628
ZKSZEJFBGODIJW-GMDXDWKASA-N 		(R)-Prunasin
(2R)-(beta-D-glucosyloxy)(phenyl)acetonitrile
(R)-prunasin
Prunasin

metacyc.compound:CPD-553
metacycM:CPD-553
ZKSZEJFBGODIJW-GMDXDWKASA-N 		(R)-prunasin
(2R)-(beta-D-glucosyloxy)(phenyl)acetonitrile
hmdb:HMDB0034934
ZKSZEJFBGODIJW-GMDXDWKASA-N 		Prunasin
(-)-(2R)-Prunasin
(-)-Prunasin
(2R)-(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile
(2R)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
(2R)-Prunasin
(R)-(b-D-Glucopyranosyloxy)phenylacetonitrile
(R)-(beta-D-Glucopyranosyloxy)phenylacetonitrile
(R)-(beta-D-glucopyranosyloxy)phenylacetonitrile
(R)-Mandelonitrile b-D-glucopyranoside
(R)-Mandelonitrile b-D-glucoside
(R)-Mandelonitrile beta-D-glucopyranoside
(R)-Mandelonitrile beta-D-glucoside
(R)-Prunasin
(R)-a-(b-D-Glucopyranosyloxy)benzene-acetonitrile
(R)-alpha-(beta-D-Glucopyranosyloxy)benzene-acetonitrile
(R)-alpha-(beta-D-glucopyranosyloxy)benzene-acetonitrile
(R)-prunasin
D-Prunasin
Mandelonitrile-beta-glucoside
Prulaurasin
Prunasin, (R)-isomer
Prunasine

kegg.compound:C00844
keggC:C00844
ZKSZEJFBGODIJW-GMDXDWKASA-N 		Prunasin
(R)-Prunasin

hmdb:HMDB34934
chebi:11011
chebi:18706
chebi:353
chebi:36463
keggC:M_C00844
seedM:M_cpd00628 		secondary/obsolete/fantasy identifier