EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168919 - 6-(3-ethyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168919
ChEBI Name6-(3-ethyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O8
Net Charge0
Average Mass328.317
Monoisotopic Mass328.11582
SMILESCCc1cc(OC)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C15H20O8/c1-3-7-4-8(21-2)6-9(5-7)22-15-12(18)10(16)11(17)13(23-15)14(19)20/h4-6,10-13,15-18H,3H2,1-2H3,(H,19,20)
InChIKeyWIRBWTZCZVCTCC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-(3-ethyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168919) is a glycoside (CHEBI:24400)
IUPAC Name 
6-(3-ethyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128035HMDB