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CHEBI:225444 - MR566A

ChEBI IDCHEBI:225444
ChEBI NameMR566A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10ClNO3
Net Charge0
Average Mass203.625
Monoisotopic Mass203.03492
SMILES[C-]#[N+]C1=CC(O)(C(C)O)C(O)C1Cl
InChIInChI=1S/C8H10ClNO3/c1-4(11)8(13)3-5(10-2)6(9)7(8)12/h3-4,6-7,11-13H,1H3
InChIKeyCPHWWEVFVFERCX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma harzianum (ncbitaxon:5544) - PubMed (9268001)
ChEBI Ontology
Outgoing Relation(s)
MR566A (CHEBI:225444) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
5-chloro-2-(1-hydroxyethyl)-4-isocyanocyclopent-3-ene-1,2-diol
Manual XrefsDatabases
8352113ChemSpider