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CHEBI:206667 - Vaccinol N

ChEBI IDCHEBI:206667
ChEBI NameVaccinol N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCC(=O)OCC[C@@H]1OCc2c(O)cccc21
InChIInChI=1S/C12H14O4/c1-8(13)15-6-5-12-9-3-2-4-11(14)10(9)7-16-12/h2-4,12,14H,5-7H2,1H3/t12-/m0/s1
InChIKeyUJLQNWCADASPRU-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (28625729)
ChEBI Ontology
Outgoing Relation(s)
Vaccinol N (CHEBI:206667) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
2-[(1S)-4-hydroxy-1,3-dihydro-2-benzouran-1-yl]ethyl acetate
Manual XrefsDatabases
62285129ChemSpider