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CHEBI:167750 - Methyl 2-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate

ChEBI IDCHEBI:167750
ChEBI NameMethyl 2-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O12
Net Charge0
Average Mass460.432
Monoisotopic Mass460.15808
SMILESCOC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H28O12/c1-8-12(22)14(24)16(26)19(29-8)32-17-15(25)13(23)11(7-21)31-20(17)30-10-6-4-3-5-9(10)18(27)28-2/h3-6,8,11-17,19-26H,7H2,1-2H3/t8-,11+,12-,13+,14+,15-,16+,17+,19-,20+/m0/s1
InChIKeyIPEXIFXOBNTVCE-HXPJHFNISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Methyl 2-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate (CHEBI:167750) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxybenzoate
Manual XrefsDatabases
22913940ChemSpider