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CHEBI:169285 - 6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169285
ChEBI Name6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O9
Net Charge0
Average Mass390.344
Monoisotopic Mass390.09508
SMILESC=C/C=C/c1cc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cccc2c(=O)o1
InChIInChI=1S/C19H18O9/c1-2-3-5-9-8-11-10(18(25)26-9)6-4-7-12(11)27-19-15(22)13(20)14(21)16(28-19)17(23)24/h2-8,13-16,19-22H,1H2,(H,23,24)/b5-3+
InChIKeyJTWWNKDAYGMPDG-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169285) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3-[(1E)-buta-1,3-dienyl]-1-oxoisochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130059HMDB