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CHEBI:6895 - Methysticin

ChEBI IDCHEBI:6895
ChEBI NameMethysticin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H14O5
Net Charge0
Average Mass274.272
Monoisotopic Mass274.08412
SMILES[H][C@]1(/C=C/c2ccc3c(c2)OCO3)CC(OC)=CC(=O)O1
InChIInChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2+/t11-/m0/s1
InChIKeyGTEXBOVBADJOQH-FWEMWIAWSA-N
ChEBI Ontology
Outgoing Relation(s)
Methysticin (CHEBI:6895) is a 2-pyranones (CHEBI:75885)
Methysticin (CHEBI:6895) is a aromatic ether (CHEBI:35618)
Synonym  Source
MethysticinKEGG COMPOUND
Manual XrefsDatabases
C09952KEGG COMPOUND
C00003005KNApSAcK
Registry NumbersSources
CAS:495-85-2KEGG COMPOUND