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CHEBI:80795 - Atractylodin

ChEBI IDCHEBI:80795
ChEBI NameAtractylodin
Stars
DownloadsMolfile
FormulaC13H10O
Net Charge0
Average Mass182.222
Monoisotopic Mass182.07316
SMILESC/C=C/C#CC#C/C=C/c1ccco1
InChIInChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+
InChIKeyGRBKWAXRYIITKG-QFMFQGICSA-N
ChEBI Ontology
Outgoing Relation(s)
Atractylodin (CHEBI:80795) is a furans (CHEBI:24129)
Manual XrefsDatabases
C16918KEGG COMPOUND
Registry NumbersSources
CAS:55290-63-6KEGG COMPOUND