CHEBI:180862 - 6-[5-(2-carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-[5-(2-carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:180862
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H16O12
Net Charge 0
Average Mass 388.281
Monoisotopic Mass 388.06418
InChI InChI=1S/C15H16O12/c16-5-1-4(2-6(17)13(22)23)3-7(8(5)18)26-15-11(21)9(19)10(20)12(27-15)14(24)25/h1,3,9-12,15-16,18-21H,2H2,(H,22,23)(H,24,25)
InChIKey GWEFMQRDZWXOOD-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=CC(=CC(O)=C2O)CC(=O)C(O)=O)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing 6-[5-(2-carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180862) is a glycoside (CHEBI:24400)
IUPAC Name
6-[5-(2-carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0125277 HMDB
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