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CHEBI:169528 - Benzyl gentiobioside

ChEBI IDCHEBI:169528
ChEBI NameBenzyl gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O11
Net Charge0
Average Mass432.422
Monoisotopic Mass432.16316
SMILESOC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
InChIKeyLLEMMFPELBNINR-SKYGPZSASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Benzyl gentiobioside (CHEBI:169528) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Manual XrefsDatabases
4955771ChemSpider
Registry NumbersSources
CAS:56775-64-5ChemIDplus