EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182273 - 4-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4xi)-alpha-L-threo-pentofuranosyl]-beta-D-glucopyranoside

ChEBI IDCHEBI:182273
ChEBI Name4-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4xi)-alpha-L-threo-pentofuranosyl]-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O11
Net Charge0
Average Mass460.476
Monoisotopic Mass460.19446
SMILESCC(CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC(CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H32O11/c1-10(2-3-11-4-6-12(23)7-5-11)30-21-19(28)17(26)16(25)14(32-21)9-29-20-18(27)15(24)13(8-22)31-20/h4-7,10,13-28H,2-3,8-9H2,1H3/t10?,13?,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1
InChIKeyDJDISCKFJXDADJ-COUYJTLKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4xi)-alpha-L-threo-pentofuranosyl]-beta-D-glucopyranoside (CHEBI:182273) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol
Manual XrefsDatabases
22912896ChemSpider