CHEBI:172668 - 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside

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ChEBI Name 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside
ChEBI ID CHEBI:172668
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O10
Net Charge 0
Average Mass 426.418
Monoisotopic Mass 426.15260
InChI InChI=1S/C20H26O10/c1-20(2)7-11(22)10-5-9(3-4-15(23)24)12(6-13(10)30-20)28-19-18(27)17(26)16(25)14(8-21)29-19/h5-6,14,16-19,21,25-27H,3-4,7-8H2,1-2H3,(H,23,24)
InChIKey DSNULGSRJZPYOC-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C(=CC3=C(OC(CC3=O)(C)C)C2)CCC(O)=O)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside (CHEBI:172668) is a glycoside (CHEBI:24400)
IUPAC Name
3-[2,2-dimethyl-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-chromen-6-yl]propanoic acid
Manual Xref Database
HMDB0034032 HMDB
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