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

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ChEBI Name 6-{[2,2-dimethyl-6-(3-oxo-3-phenylpropyl)-2H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:189817
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28O9
Net Charge 0
Average Mass 484.501
Monoisotopic Mass 484.17333
InChI InChI=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)
InChIKey WFTAEJQKRFGTOV-UHFFFAOYSA-N
SMILES O1C(OC=2C3=C(OC(C=C3)(C)C)C=CC2CCC(=O)C4=CC=CC=C4)C(O)C(O)C(O)C1C(O)=O
Metabolite of Species Details
Sarcophaga peregrina (NCBI:txid7386) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0125915 HMDB
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