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CHEBI:174515 - Betulalbuside A

ChEBI IDCHEBI:174515
ChEBI NameBetulalbuside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O7
Net Charge0
Average Mass332.393
Monoisotopic Mass332.18350
SMILESC=CC(C)(O)CC/C=C(\C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6+/t11-,12-,13+,14-,15-,16?/m1/s1
InChIKeyWEHZDNHJZBEGME-GTQRNPCRSA-N
ChEBI Ontology
Outgoing Relation(s)
Betulalbuside A (CHEBI:174515) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
28425445ChemSpider