loading...| Preferred Name |
amygdalin |
|
| Synonyms |
[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile mandelonitrile-beta-gentiobioside amygdaloside |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_27613 |
|
| charge |
0 |
|
| formula |
C20H27NO11 |
|
| has functional parent | ||
| has role | ||
| has_alternative_id |
CHEBI:2690 CHEBI:22537 |
|
| has_exact_synonym |
[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
mandelonitrile-beta-gentiobioside amygdaloside |
|
| id |
CHEBI:27613 |
|
| in_subset | ||
| 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 |
|
| label |
amygdalin |
|
| mass |
457.42852 |
|
| monoisotopicmass |
457.15841 |
|
| notation |
CHEBI:27613 |
|
| prefLabel |
amygdalin |
|
| smiles |
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_63353 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_63353 |