CHEBI:166510 - Vicianin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Vicianin
ChEBI ID CHEBI:166510
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H25NO10
Net Charge 0
Average Mass 427.406
Monoisotopic Mass 427.14785
InChI InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2/t10-,11-,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1
InChIKey YYYCJNDALLBNEG-GNRUMFBNSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H](C2=CC=CC=C2)C#N)CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via cyanogenic glycoside )
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ChEBI Ontology
Outgoing Vicianin (CHEBI:166510) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
Manual Xrefs Databases
570879 ChemSpider
C01870 KEGG COMPOUND
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