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CHEBI:188386 - 6-({2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:188386
ChEBI Name6-({2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O11
Net Charge0
Average Mass442.417
Monoisotopic Mass442.14751
SMILESCOc1c(CC=C(C)C)c(O)cc(O)c1CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C20H26O11/c1-8(2)4-5-9-11(21)7-12(22)10(17(9)29-3)6-13(23)30-20-16(26)14(24)15(25)18(31-20)19(27)28/h4,7,14-16,18,20-22,24-26H,5-6H2,1-3H3,(H,27,28)
InChIKeyVRVITZYOKKBONB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
6-({2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:188386) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125470HMDB