EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:182794 - (+/-)-Dihydromethysticin

ChEBI IDCHEBI:182794
ChEBI Name(+/-)-Dihydromethysticin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O5
Net Charge0
Average Mass276.288
Monoisotopic Mass276.09977
SMILESCOC1=CC(=O)OC(CCc2ccc3c(c2)OCO3)C1
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
InChIKeyRSIWXFIBHXYNFM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(+/-)-Dihydromethysticin (CHEBI:182794) is a 2-pyranones (CHEBI:75885)
(+/-)-Dihydromethysticin (CHEBI:182794) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
HMDB0030791HMDB
200147ChemSpider
Registry NumbersSources
CAS:6581-46-0ChemIDplus