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CHEBI:180772 - 6-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:180772
ChEBI Name6-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O12
Net Charge0
Average Mass516.455
Monoisotopic Mass516.12678
SMILESCOc1c(C(=O)CC(OC2OC(C(=O)O)C(O)C(O)C2O)c2ccc3c(c2)OCO3)ccc2occc12
InChIInChI=1S/C25H24O12/c1-32-22-12(3-5-15-13(22)6-7-33-15)14(26)9-17(11-2-4-16-18(8-11)35-10-34-16)36-25-21(29)19(27)20(28)23(37-25)24(30)31/h2-8,17,19-21,23,25,27-29H,9-10H2,1H3,(H,30,31)
InChIKeyWSVLBYKFWZRHPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180772) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
6-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzouran-5-yl)-3-oxopropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0129393HMDB