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CHEBI:193216 - 6-{[3-(3-ethyloxiran-2-yl)-1-oxo-1H-isochromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:193216
ChEBI Name6-{[3-(3-ethyloxiran-2-yl)-1-oxo-1H-isochromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O10
Net Charge0
Average Mass408.359
Monoisotopic Mass408.10565
SMILESCCC1OC1c1cc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cccc2c(=O)o1
InChIInChI=1S/C19H20O10/c1-2-9-15(26-9)11-6-8-7(18(25)27-11)4-3-5-10(8)28-19-14(22)12(20)13(21)16(29-19)17(23)24/h3-6,9,12-16,19-22H,2H2,1H3,(H,23,24)
InChIKeyPSUSIZDJWVFDNK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
6-{[3-(3-ethyloxiran-2-yl)-1-oxo-1H-isochromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:193216) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3-(3-ethyloxiran-2-yl)-1-oxoisochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid