EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190762 - 6-[1-carboxy-2-(4-methoxy-1-benzofuran-5-yl)-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190762
ChEBI Name6-[1-carboxy-2-(4-methoxy-1-benzofuran-5-yl)-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O11
Net Charge0
Average Mass410.331
Monoisotopic Mass410.08491
SMILESCOc1c(C(=O)C(C(=O)O)C2OC(C(=O)O)C(O)C(O)C2O)ccc2occc12
InChIInChI=1S/C18H18O11/c1-27-14-6-4-5-28-8(6)3-2-7(14)10(19)9(17(23)24)15-12(21)11(20)13(22)16(29-15)18(25)26/h2-5,9,11-13,15-16,20-22H,1H3,(H,23,24)(H,25,26)
InChIKeyKNQNRYICSYYPEJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-[1-carboxy-2-(4-methoxy-1-benzofuran-5-yl)-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190762) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
6-[1-carboxy-2-(4-methoxy-1-benzouran-5-yl)-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0129405HMDB