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

ChEBI IDCHEBI:177977
ChEBI Name6-{[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O11
Net Charge0
Average Mass384.293
Monoisotopic Mass384.06926
SMILESO=C(CC(=O)c1ccc2c(c1)OCO2)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=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)
InChIKeyAGMRDUJIGXCVHB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
HMDB0129411HMDB