CHEBI:198301 - Aleurodisconitrile

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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 Aleurodisconitrile
ChEBI ID CHEBI:198301
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H16N2O6
Net Charge 0
Average Mass 296.279
Monoisotopic Mass 296.10084
InChI InChI=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
InChIKey HREWMXYKFXVCNP-GZMMTYOYSA-N
SMILES O=C(O)[C@@H](N)CCO[C@H](C#N)C1=CC(OC)=C(O)C(=C1)O
Metabolite of Species Details
Aleurodiscus amorphus (NCBI:txid166462) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78436340 ChemSpider
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