EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182335 - (4R,6S)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one

ChEBI IDCHEBI:182335
ChEBI Name(4R,6S)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCC(C)(O)/C=C/C1=CC(=O)[C@@](C)(O)C[C@H]1O
InChIInChI=1S/C12H18O4/c1-11(2,15)5-4-8-6-10(14)12(3,16)7-9(8)13/h4-6,9,13,15-16H,7H2,1-3H3/b5-4+/t9-,12+/m1/s1
InChIKeyMQTHRHQDRZPYGH-DMKSKQPMSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,6S)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one (CHEBI:182335) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,6S)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one
Manual XrefsDatabases
22842423ChemSpider