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CHEBI:184746 - 6-({3-[(1E)-but-1-en-1-yl]-7-hydroxy-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184746
ChEBI Name6-({3-[(1E)-but-1-en-1-yl]-7-hydroxy-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
SMILESCC/C=C/c1cc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)cc2c(=O)o1
InChIInChI=1S/C19H20O10/c1-2-3-4-9-7-10-11(18(26)27-9)5-8(20)6-12(10)28-19-15(23)13(21)14(22)16(29-19)17(24)25/h3-7,13-16,19-23H,2H2,1H3,(H,24,25)/b4-3+
InChIKeyZCDAOZHJIABZFP-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-({3-[(1E)-but-1-en-1-yl]-7-hydroxy-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184746) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3-[(E)-but-1-enyl]-7-hydroxy-1-oxoisochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
74886745ChemSpider
HMDB0130055HMDB