(Q105369312)

English

(2R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]oxy-2-phenylacetonitrile

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-2-phenylacetonitrile

1 reference

based on heuristic

inferred from SMILES

mass

457.158410684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₇NO₁₁

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canonical SMILES

N#CC(OC1C(O)C(O)C(OCC2OC(O)C(O)C(O)C2O)OC1CO)C=3C=CC=CC3

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isomeric SMILES

N#C[C@H](O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)c1ccccc1

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found in taxon

Gerbera jamesonii

1 reference

stated in

Cyanogenic glycosides and 4-hydroxycoumarin glycosides from Gerbera jamesonii hybrida.

Identifiers

InChI

InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-18-11(7-22)32-20(17(27)15(18)25)29-8-12-13(23)14(24)16(26)19(28)31-12/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

YZLOSXFCSIDECK-ROSBSSNUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YZLOSXFCSIDECK-ROSBSSNUSA-N

(Q105369312)

(2R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]oxy-2-phenylacetonitrile

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Identifiers

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