(RS)-amygdalin

pair of isomers

Class type of: cyanogenic glycoside, substituted benzene Q27103225

Facts

7 properties

Instance of: group of stereoisomers
Subclass of: cyanogenic glycoside, substituted benzene
Canonical SMILES: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
Chemical formula: C₂₀H₂₇NO₁₁
Found in taxon: Prunus domestica, Malus
Isomeric SMILES: C1=CC=C(C=C1)C(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
Mass: 457.158411 dalton

🏷️ Also known as

en amygdaloside en mandelonitrile-beta-gentiobioside en (RS)-amygdalin pl (RS)-amigdalina ru (RS)-амигдалин

🔖 Identifiers · 12

ChEBI ID: 27613
ChEMBL ID: CHEMBL515712
ChemSpider ID: 31979
DSSTox substance ID: DTXSID001031434
Encyclopædia Britannica Online ID: science/amygdalin
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-/m1/s1
InChIKey: XUCIJNAGGSZNQT-SWRVSKMJSA-N
MassBank accession ID: MSBNK-RIKEN_NPDepo-CB000276, MSBNK-RIKEN_NPDepo-NGA00909, MSBNK-RIKEN_NPDepo-NGA00910, MSBNK-RIKEN_NPDepo-NGA00911, MSBNK-RIKEN_NPDepo-NGA00912
Probes And Drugs ID: PD001340
PubChem CID: 34751
SureChEMBL ID: 131407
UniChem compound ID: 554547

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Summary

(RS)-amygdalin is a group of stereoisomers^[1].

Key Facts

Canonical SMILES: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O^[2]
Chemical formula: C₂₀H₂₇NO₁₁^[3]
Subclass of: cyanogenic glycoside^[4], substituted benzene^[5]
Found in taxon: Prunus domestica^[6], Malus^[7]
Isomeric SMILES: C1=CC=C(C=C1)C(C#N)O[C@H]2C@@HO^C@@HO">[8]
Mass: 457.158411 dalton^[9]

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

[2] ↑ (RS)-amygdalin — canonical SMILES (P233): C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[3] ↑ (RS)-amygdalin — chemical formula (P274): C₂₀H₂₇NO₁₁. PubChem. Retrieved 2016-10-05. wikidata.org.
[4] ↑ (RS)-amygdalin — subclass of (P279): cyanogenic glycoside. wikidata.org.
[5] ↑ (RS)-amygdalin — subclass of (P279): substituted benzene. wikidata.org.
[6] ↑ (RS)-amygdalin — found in taxon (P703): Prunus domestica. Amygdalin content of seeds, kernels and food products commercially-available in the UK.. wikidata.org.
[7] ↑ (RS)-amygdalin — found in taxon (P703): Malus. Amygdalin content of seeds, kernels and food products commercially-available in the UK.. wikidata.org.
[8] ↑ (RS)-amygdalin — isomeric SMILES (P2017): C1=CC=C(C=C1)C(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[9] ↑ (RS)-amygdalin — mass (P2067): 457.158411 dalton. PubChem. Retrieved 2016-10-05. wikidata.org.

Class ancestry

[1] ↑ (RS)-amygdalin is an instance of group of stereoisomers (Q59199015) [P31, primary]. Wikidata. wikidata.org.

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BibTeX

@misc{4ortxyz_-rs-amygdalin_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{(RS)-amygdalin}}, year = {2026}, url = {https://4ort.xyz/entity/-rs-amygdalin}, note = {Accessed: 2026-05-03}}

LLM prompt

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