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CHEBI:193501 - 3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:193501
ChEBI Name3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC17H20O10
Net Charge0
Average Mass384.337
Monoisotopic Mass384.10565
SMILESCOc1cc(/C=C/C(C)=O)c(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C17H20O10/c1-7(18)3-4-8-5-10(25-2)11(6-9(8)19)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3-6,12-15,17,19-22H,1-2H3,(H,23,24)/b4-3+
InChIKeyHXSYGAKMOZDSKG-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid (CHEBI:193501) is a glycoside (CHEBI:24400)