(2R)-2-phenyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile (Q105342099)

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chemical compound

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Language	Label	Description	Also known as
English	(2R)-2-phenyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile	chemical compound

Statements

instance of

type of chemical entity

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subclass of

(2R)-2-phenyl-2-[(4S,5S)-3,4,5-trihydroxy-6-[[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile

1 reference

based on heuristic

inferred from SMILES

amygdalin

1 reference

based on heuristic

inferred from SMILES

mass

457.158410684 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Neoamygdalin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(R)-amygdalin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₇NO₁₁

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canonical SMILES

N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C=3C=CC=CC3

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isomeric SMILES

N#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)c1ccccc1

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found in taxon

Clerodendrum grayi

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stated in

Cyanogenic glycosides from the rare Australian endemic rainforest tree Clerodendrum grayi (Lamiaceae).

Passiflora edulis

1 reference

stated in

Cyanohydrin glycosides of Passiflora: distribution pattern, a saturated cyclopentane derivative from P. guatemalensis, and formation of pseudocyanogenic alpha-hydroxyamides as isolation artefacts

Prunus ilicifolia

1 reference

stated in

Amygdalin in Prunus leaves

Prunus serotina

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stated in

Amygdalin in Prunus leaves

Prunus virginiana

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stated in

Amygdalin in Prunus leaves

Prunus ilicifolia var. integrifolia

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stated in

Amygdalin in Prunus leaves

Identifiers

InChI

InChI=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

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InChIKey

XUCIJNAGGSZNQT-AWQAGIFSSA-N

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PubChem CID

163003806

1 reference

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

 

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