EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190724 - 6-{3-[2-(2,5-dihydroxyphenyl)ethyl]-5-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190724
ChEBI Name6-{3-[2-(2,5-dihydroxyphenyl)ethyl]-5-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O10
Net Charge0
Average Mass436.413
Monoisotopic Mass436.13695
SMILESCOc1cc(CCc2cc(O)ccc2O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C21H24O10/c1-29-13-6-10(2-3-11-8-12(22)4-5-15(11)23)7-14(9-13)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h4-9,16-19,21-26H,2-3H2,1H3,(H,27,28)
InChIKeyURVHSBFCONOBBX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-{3-[2-(2,5-dihydroxyphenyl)ethyl]-5-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190724) is a glycoside (CHEBI:24400)
6-{3-[2-(2,5-dihydroxyphenyl)ethyl]-5-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190724) is a stilbenoid (CHEBI:26776)
IUPAC Name 
6-[3-[2-(2,5-dihydroxyphenyl)ethyl]-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0129947HMDB