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CHEBI:220287 - Sinapigladioside

ChEBI IDCHEBI:220287
ChEBI NameSinapigladioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27NO9S
Net Charge0
Average Mass469.512
Monoisotopic Mass469.14065
SMILESCO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](Oc3ccc(/C=C/N=C=S)cc3)O[C@H]2C)OC[C@H]1O
InChIInChI=1S/C21H27NO9S/c1-11-18(31-20-17(26)19(27-2)14(23)9-28-20)15(24)16(25)21(29-11)30-13-5-3-12(4-6-13)7-8-22-10-32/h3-8,11,14-21,23-26H,9H2,1-2H3/b8-7+/t11-,14+,15-,16+,17+,18-,19-,20-,21-/m0/s1
InChIKeyVFYGYGVJLURNPA-JLNJQKPRSA-N
Species of MetaboliteComponentSourceComments
Burkholderia (ncbitaxon:32008) - PubMed (28452358)
ChEBI Ontology
Outgoing Relation(s)
Sinapigladioside (CHEBI:220287) is a aromatic ether (CHEBI:35618)