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CHEBI:66305 - rhodiocyanoside A
| Formula | C11H17NO6 |
| Net Charge | 0 |
| Average Mass | 259.258 |
| Monoisotopic Mass | 259.10559 |
| SMILES | C/C(C#N)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C11H17NO6/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-11,13-16H,3,5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1 |
| InChIKey | ZMELGIPFIBWPHX-GMLQCYRESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rhodiola quadrifida (ncbitaxon:487764) | root (BTO:0001188) | PubMed (8945774) | Underground parts |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | anti-allergic agent A drug used to treat allergic reactions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rhodiocyanoside A (CHEBI:66305) has role anti-allergic agent (CHEBI:50857) |
| rhodiocyanoside A (CHEBI:66305) has role metabolite (CHEBI:25212) |
| rhodiocyanoside A (CHEBI:66305) is a aliphatic nitrile (CHEBI:80291) |
| rhodiocyanoside A (CHEBI:66305) is a cyanogenic glycoside (CHEBI:23436) |
| rhodiocyanoside A (CHEBI:66305) is a monosaccharide derivative (CHEBI:63367) |
| rhodiocyanoside A (CHEBI:66305) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| (2Z)-4-(β-D-glucopyranosyloxy)-2-methylbut-2-enenitrile |
| Synonym | Source |
|---|---|
| (2Z)-2-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}but-2-enenitrile | IUPAC |
| Manual Xrefs | Databases |
|---|---|
| EP1593383 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7377117 | Reaxys |
| Citations |
|---|