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CHEBI:189014 - 3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-3-oxopentyl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:189014
ChEBI Name3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-3-oxopentyl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O9
Net Charge0
Average Mass384.381
Monoisotopic Mass384.14203
SMILESCCC(=O)CC(OC1OC(C(=O)O)C(O)C(O)C1O)c1ccc(OC)cc1
InChIInChI=1S/C18H24O9/c1-3-10(19)8-12(9-4-6-11(25-2)7-5-9)26-18-15(22)13(20)14(21)16(27-18)17(23)24/h4-7,12-16,18,20-22H,3,8H2,1-2H3,(H,23,24)
InChIKeyTWSHGCHPGCBTFY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Anopheles sinensis (ncbitaxon:74873) Whole Organism (NCIT:C13413) Article
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-3-oxopentyl]oxy}oxane-2-carboxylic acid (CHEBI:189014) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[1-(4-methoxyphenyl)-3-oxopentoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133007HMDB