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(R)-amygdalin

PropertiesImage
MNX_IDMNXM735862 Image of MNXM735862
referencechebi:17019
formulaC20H27NO11
global charge0
mol weight457.432
InChIKeyXUCIJNAGGSZNQT-JHSLDZJXSA-N
InChIInChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1
SMILESN#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1 Image of MNXM735862
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]([C@H:10]([C:6]#[N:21])[O:30][C@H:20]2[C@H:18]([OH:28])[C@@H:16]([OH:26])[C@H:14]([OH:24])[C@@H:12]([CH2:8][O:29][C@H:19]3[C@H:17]([OH:27])[C@@H:15]([OH:25])[C@H:13]([OH:23])[C@@H:11]([CH2:7][OH:22])[O:31]3)[O:32]2)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17019
chebi:17019
XUCIJNAGGSZNQT-JHSLDZJXSA-N 		(R)-amygdalin
(-)-D-mandelonitrile beta-D-gentiobioside
(2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile
(R)-Amygdalin
(R)-Amygdaloside
(R)-Laenitrile
D-(-)-mandelonitrile-beta-D-gentiobioside
D-amygdalin
D-mandelonitrile-beta-D-glucosido-6-beta-D-glucoside

sabiork.compound:5925
sabiorkM:5925
XUCIJNAGGSZNQT-JHSLDZJXSA-N 		(R)-Amygdalin
(R)-Amygdaloside
(R)-Laenitrile

seed.compound:cpd01356
seedM:cpd01356
XUCIJNAGGSZNQT-JHSLDZJXSA-N 		(R)-Amygdalin
(R)-Amygdaloside
(R)-Laenitrile
(R)-alpha-((6-O-beta-D-glucopyranosyl-beta-D- glucopyranosyl)oxy)benzeneacetonitrile
(R)-amygdalin
(R)-amygdaloside
(R)-laenitrile
Amygdalin
Andirobicin C gentiobioside
Bruceacanthinoside
Bruceolline
Clinoposaponin X
D(-)-mandelonitrile-beta-D-gentiobioside
D-amygdalin
D-mandelonitrile-beta-D-glucosido-6-beta-D-glucoside
Fevicordin F gentiobioside
Gentiobiose
Gycomoside 1
amygdalin
mandelonitrile-beta-gentiobioside
vitamin B17

metacyc.compound:CPD-1125
metacycM:CPD-1125
XUCIJNAGGSZNQT-JHSLDZJXSA-N 		(R)-amygdalin
(R)-alpha-((6-O-beta-D-glucopyranosyl-beta-D- glucopyranosyl)oxy)benzeneacetonitrile
(R)-amygdaloside
(R)-laenitrile
D(-)-mandelonitrile-beta-D-gentiobioside
D-amygdalin
D-mandelonitrile-beta-D-glucosido-6-beta-D-glucoside
amygdalin
mandelonitrile-beta-gentiobioside
vitamin B17

kegg.compound:C08325
keggC:C08325
XUCIJNAGGSZNQT-JHSLDZJXSA-N 		Amygdalin
(R)-Amygdalin
(R)-Amygdaloside
(R)-Laenitrile

chebi:10997
chebi:18681
chebi:336
keggC:M_C08325
seedM:M_cpd01356 		secondary/obsolete/fantasy identifier