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CHEBI:193259 - 3,4,5-trihydroxy-6-{[(3E)-4-(1-oxo-1H-isochromen-3-yl)but-3-en-1-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:193259
ChEBI Name3,4,5-trihydroxy-6-{[(3E)-4-(1-oxo-1H-isochromen-3-yl)but-3-en-1-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O9
Net Charge0
Average Mass392.360
Monoisotopic Mass392.11073
SMILESO=C(O)C1OC(OCC/C=C/c2cc3ccccc3c(=O)o2)C(O)C(O)C1O
InChIInChI=1S/C19H20O9/c20-13-14(21)16(17(23)24)28-19(15(13)22)26-8-4-3-6-11-9-10-5-1-2-7-12(10)18(25)27-11/h1-3,5-7,9,13-16,19-22H,4,8H2,(H,23,24)/b6-3+
InChIKeyMUGSXTQKMYNILA-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[(3E)-4-(1-oxo-1H-isochromen-3-yl)but-3-en-1-yl]oxy}oxane-2-carboxylic acid (CHEBI:193259) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[(E)-4-(1-oxoisochromen-3-yl)but-3-enoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
74886741ChemSpider