EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190881 - 6-({2-[2,5-dihydroxy-4-(methoxymethyl)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190881
ChEBI Name6-({2-[2,5-dihydroxy-4-(methoxymethyl)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O13
Net Charge0
Average Mass510.448
Monoisotopic Mass510.13734
SMILESCOCc1cc(O)c(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3CC2O)cc1O
InChIInChI=1S/C23H26O13/c1-33-7-8-2-13(25)11(6-12(8)24)20-15(27)5-10-14(26)3-9(4-16(10)35-20)34-23-19(30)17(28)18(29)21(36-23)22(31)32/h2-4,6,15,17-21,23-30H,5,7H2,1H3,(H,31,32)
InChIKeyIXYTZUMJSICTCU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-({2-[2,5-dihydroxy-4-(methoxymethyl)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190881) is a flavonoids (CHEBI:72544)
6-({2-[2,5-dihydroxy-4-(methoxymethyl)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190881) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[[2-[2,5-dihydroxy-4-(methoxymethyl)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127855HMDB