EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182789 - 2-[4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol

ChEBI IDCHEBI:182789
ChEBI Name2-[4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O10
Net Charge0
Average Mass478.494
Monoisotopic Mass478.18390
SMILESCOc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1OC1OCC(O)C(O)C1O
InChIInChI=1S/C24H30O10/c1-31-19-9-13(4-5-18(19)33-24-21(30)20(29)17(28)11-32-24)22-15(10-26)14-7-12(3-2-6-25)8-16(27)23(14)34-22/h4-5,7-9,15,17,20-22,24-30H,2-3,6,10-11H2,1H3
InChIKeyQDWGYCCSJIYJAE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol (CHEBI:182789) is a benzofurans (CHEBI:35259)
IUPAC Name 
2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzouran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
20058517ChemSpider