EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181136 - 5-[(E)-3-Hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol

ChEBI IDCHEBI:181136
ChEBI Name5-[(E)-3-Hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O4
Net Charge0
Average Mass228.288
Monoisotopic Mass228.13616
SMILESCC(C)(O)/C=C/C1=CC(O)C(C)(O)CC1O
InChIInChI=1S/C12H20O4/c1-11(2,15)5-4-8-6-10(14)12(3,16)7-9(8)13/h4-6,9-10,13-16H,7H2,1-3H3/b5-4+
InChIKeyKLZSJMCXTDLPSF-SNAWJCMRSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[(E)-3-Hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol (CHEBI:181136) is a cyclitol (CHEBI:23451)
IUPAC Name 
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol
Manual XrefsDatabases
22842424ChemSpider