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CHEBI:4573 - Dihydromethysticin

ChEBI IDCHEBI:4573
ChEBI NameDihydromethysticin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H16O5
Net Charge0
Average Mass276.288
Monoisotopic Mass276.09977
SMILES[H][C@]1(CCc2ccc3c(c2)OCO3)CC(OC)=CC(=O)O1
InChIInChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3/t11-/m0/s1
InChIKeyRSIWXFIBHXYNFM-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
Dihydromethysticin (CHEBI:4573) is a 2-pyranones (CHEBI:75885)
Dihydromethysticin (CHEBI:4573) is a aromatic ether (CHEBI:35618)
Synonym  Source
DihydromethysticinKEGG COMPOUND
Manual XrefsDatabases
C09926KEGG COMPOUND
C00002988KNApSAcK
Registry NumbersSources
CAS:19902-91-1KEGG COMPOUND