EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226456 - (4R,5S,6R)-4,5,6-trihydroxy-3-methoxy-5-methyl-cyclohex-2-en-1-one

ChEBI IDCHEBI:226456
ChEBI Name(4R,5S,6R)-4,5,6-trihydroxy-3-methoxy-5-methyl-cyclohex-2-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O5
Net Charge0
Average Mass188.179
Monoisotopic Mass188.06847
SMILESCOC1=CC(=O)[C@H](O)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C8H12O5/c1-8(12)6(10)4(9)3-5(13-2)7(8)11/h3,6-7,10-12H,1-2H3/t6-,7-,8+/m0/s1
InChIKeyCQQQJOUVFXTXRF-BIIVOSGPSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,5S,6R)-4,5,6-trihydroxy-3-methoxy-5-methyl-cyclohex-2-en-1-one (CHEBI:226456) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,5S,6R)-4,5,6-trihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
Manual XrefsDatabases
4439449ChemSpider