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CHEBI:198881 - MR-304A

ChEBI IDCHEBI:198881
ChEBI NameMR-304A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H11NO4
Net Charge0
Average Mass185.179
Monoisotopic Mass185.06881
SMILES[C-]#[N+]C1=CC(O)C(O)(C(C)O)C1O
InChIInChI=1S/C8H11NO4/c1-4(10)8(13)6(11)3-5(9-2)7(8)12/h3-4,6-7,10-13H,1H3
InChIKeyDIACYUPTLLZTEL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma harzianum (ncbitaxon:5544) - PubMed (7490227)
ChEBI Ontology
Outgoing Relation(s)
MR-304A (CHEBI:198881) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2-(1-hydroxyethyl)-4-isocyanocyclopent-4-ene-1,2,3-triol
Manual XrefsDatabases
78444479ChemSpider