EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190800 - 3,4,5-trihydroxy-6-[3-(2-phenylcyclobutyl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:190800
ChEBI Name3,4,5-trihydroxy-6-[3-(2-phenylcyclobutyl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O7
Net Charge0
Average Mass400.427
Monoisotopic Mass400.15220
SMILESO=C(O)C1OC(Oc2cccc(C3CCC3c3ccccc3)c2)C(O)C(O)C1O
InChIInChI=1S/C22H24O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-8-4-7-13(11-14)16-10-9-15(16)12-5-2-1-3-6-12/h1-8,11,15-20,22-25H,9-10H2,(H,26,27)
InChIKeyUPBHLNVEKKKBNZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[3-(2-phenylcyclobutyl)phenoxy]oxane-2-carboxylic acid (CHEBI:190800) is a glycoside (CHEBI:24400)
3,4,5-trihydroxy-6-[3-(2-phenylcyclobutyl)phenoxy]oxane-2-carboxylic acid (CHEBI:190800) is a stilbenoid (CHEBI:26776)
IUPAC Name 
3,4,5-trihydroxy-6-[3-(2-phenylcyclobutyl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0134570HMDB