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CHEBI:193207 - 6-({3-[(1E)-but-1-en-1-yl]-1-oxo-1H-isochromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:193207
ChEBI Name6-({3-[(1E)-but-1-en-1-yl]-1-oxo-1H-isochromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O9
Net Charge0
Average Mass392.360
Monoisotopic Mass392.11073
SMILESCC/C=C/c1cc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2c(=O)o1
InChIInChI=1S/C19H20O9/c1-2-3-4-10-7-9-5-6-11(8-12(9)18(25)26-10)27-19-15(22)13(20)14(21)16(28-19)17(23)24/h3-8,13-16,19-22H,2H2,1H3,(H,23,24)/b4-3+
InChIKeyKDRAHWWVJRTWMO-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
6-({3-[(1E)-but-1-en-1-yl]-1-oxo-1H-isochromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:193207) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3-[(E)-but-1-enyl]-1-oxoisochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
74886738ChemSpider