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CHEBI:183501 - 4-(Beta-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate

ChEBI IDCHEBI:183501
ChEBI Name4-(Beta-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O10
Net Charge0
Average Mass416.423
Monoisotopic Mass416.16825
SMILESCCC(C)(O)C(O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C19H28O10/c1-3-19(2,26)16(24)17(25)27-9-10-4-6-11(7-5-10)28-18-15(23)14(22)13(21)12(8-20)29-18/h4-7,12-16,18,20-24,26H,3,8-9H2,1-2H3/t12-,13-,14+,15-,16?,18-,19?/m1/s1
InChIKeyUKSHFSUBKYPKMO-VDKCXIARSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
4-(Beta-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate (CHEBI:183501) is a glycoside (CHEBI:24400)
IUPAC Name 
[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-3-methylpentanoate
Manual XrefsDatabases
29814112ChemSpider