6-{[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:177977)

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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-{[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI ID	CHEBI:177977

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O11

Net Charge

Average Mass

384.293

Monoisotopic Mass

384.06926

InChI

InChI=1S/C16H16O11/c17-7(6-1-2-8-9(3-6)25-5-24-8)4-10(18)26-16-13(21)11(19)12(20)14(27-16)15(22)23/h1-3,11-14,16,19-21H,4-5H2,(H,22,23)

InChIKey

AGMRDUJIGXCVHB-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC(=O)CC(=O)C2=CC=3OCOC3C=C2)C(O)=O

Metabolite of Species	Details
Bombyx mori (NCBI:txid7091)	Found in hemolymph (BTO:0000572).

ChEBI Ontology
Outgoing	6-{[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:177977) is a glucosiduronic acid (CHEBI:24302)

IUPAC Name

6-[3-(1,3-benzodioxol-5-yl)-3-oxopropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid