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CHEBI:206810 - R-(-)-mellein-8-O-beta-D-glucopyranoside

ChEBI IDCHEBI:206810
ChEBI NameR-(-)-mellein-8-O-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESC[C@@H]1Cc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)O1
InChIInChI=1S/C16H20O9/c1-6-4-7-8(18)2-3-9(11(7)15(22)23-6)24-16-14(21)13(20)12(19)10(5-17)25-16/h2-3,6,10,12-14,16-21H,4-5H2,1H3/t6-,10-,12-,13+,14-,16-/m1/s1
InChIKeySPZMKJGZXRDSOA-JJJLQXSWSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - DOI (10.1016/j.phytol.2017.04.039)
ChEBI Ontology
Outgoing Relation(s)
R-(-)-mellein-8-O-beta-D-glucopyranoside (CHEBI:206810) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R)-5-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
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63002583ChemSpider