EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191636 - Niazirin

ChEBI IDCHEBI:191636
ChEBI NameNiazirin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17NO5
Net Charge0
Average Mass279.292
Monoisotopic Mass279.11067
SMILESC[C@@H]1O[C@@H](Oc2ccc(CC#N)cc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H17NO5/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-7-15/h2-5,8,11-14,16-18H,6H2,1H3/t8-,11-,12+,13+,14-/m0/s1
InChIKeyOBJREHLZEIEGDU-CNJBRALLSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Niazirin (CHEBI:191636) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetonitrile
Manual XrefsDatabases
114718ChemSpider
Registry NumbersSources
CAS:122001-32-5ChemIDplus