6-[2-carboxy-2-(hydroxymethyl)-2-methylethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190911)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	6-[2-carboxy-2-(hydroxymethyl)-2-methylethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI ID	CHEBI:190911

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18O10

Net Charge

Average Mass

310.255

Monoisotopic Mass

310.09000

InChI

InChI=1S/C11H18O10/c1-11(2-12,10(18)19)3-20-9-6(15)4(13)5(14)7(21-9)8(16)17/h4-7,9,12-15H,2-3H2,1H3,(H,16,17)(H,18,19)

InChIKey

FPMYMXMFCSWJAE-UHFFFAOYSA-N

SMILES

O1C(OCC(CO)(C)C(O)=O)C(O)C(O)C(O)C1C(O)=O

Metabolite of Species	Details
Oryza sativa (NCBI:txid4530)	Found in root (BTO:0001188). See: MetaboLights Study

ChEBI Ontology
Outgoing	6-[2-carboxy-2-(hydroxymethyl)-2-methylethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190911) is a glucosiduronic acid (CHEBI:24302)

IUPAC Name

6-(2-carboxy-3-hydroxy-2-methylpropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid