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CHEBI:189817 - 6-{[2,2-dimethyl-6-(3-oxo-3-phenylpropyl)-2H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:189817
ChEBI Name6-{[2,2-dimethyl-6-(3-oxo-3-phenylpropyl)-2H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O9
Net Charge0
Average Mass484.501
Monoisotopic Mass484.17333
SMILESCC1(C)C=Cc2c(ccc(CCC(=O)c3ccccc3)c2OC2OC(C(=O)O)C(O)C(O)C2O)O1
InChIInChI=1S/C26H28O9/c1-26(2)13-12-16-18(35-26)11-9-15(8-10-17(27)14-6-4-3-5-7-14)22(16)33-25-21(30)19(28)20(29)23(34-25)24(31)32/h3-7,9,11-13,19-21,23,25,28-30H,8,10H2,1-2H3,(H,31,32)
InChIKeyWFTAEJQKRFGTOV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
ChEBI Ontology
Outgoing Relation(s)
6-{[2,2-dimethyl-6-(3-oxo-3-phenylpropyl)-2H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:189817) is a flavonoids (CHEBI:72544)
6-{[2,2-dimethyl-6-(3-oxo-3-phenylpropyl)-2H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:189817) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[2,2-dimethyl-6-(3-oxo-3-phenylpropyl)chromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125915HMDB