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CHEBI:198301 - Aleurodisconitrile

ChEBI IDCHEBI:198301
ChEBI NameAleurodisconitrile
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16N2O6
Net Charge0
Average Mass296.279
Monoisotopic Mass296.10084
SMILESCOc1cc([C@@H](C#N)OCC[C@H](N)C(=O)O)cc(O)c1O
InChIInChI=1S/C13H16N2O6/c1-20-10-5-7(4-9(16)12(10)17)11(6-14)21-3-2-8(15)13(18)19/h4-5,8,11,16-17H,2-3,15H2,1H3,(H,18,19)/t8-,11+/m0/s1
InChIKeyHREWMXYKFXVCNP-GZMMTYOYSA-N
Species of MetaboliteComponentSourceComments
Aleurodiscus amorphus (ncbitaxon:166462) - PubMed (17886311)
ChEBI Ontology
Outgoing Relation(s)
Aleurodisconitrile (CHEBI:198301) is a methoxybenzenes (CHEBI:51683)
Aleurodisconitrile (CHEBI:198301) is a phenols (CHEBI:33853)
IUPAC Name 
(2S)-2-amino-4-[(S)-cyano-(3,4-dihydroxy-5-methoxyphenyl)methoxy]butanoic acid
Manual XrefsDatabases
78436340ChemSpider