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CHEBI:184550 - Epimesquitol-4alpha-ol 4-ethyl ether

ChEBI IDCHEBI:184550
ChEBI NameEpimesquitol-4alpha-ol 4-ethyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O7
Net Charge0
Average Mass334.324
Monoisotopic Mass334.10525
SMILESCCO[C@@H]1c2ccc(O)c(O)c2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O
InChIInChI=1S/C17H18O7/c1-2-23-16-9-4-6-11(19)13(21)17(9)24-15(14(16)22)8-3-5-10(18)12(20)7-8/h3-7,14-16,18-22H,2H2,1H3/t14-,15+,16+/m0/s1
InChIKeyNQOFTXRHCNWFGZ-ARFHVFGLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Epimesquitol-4alpha-ol 4-ethyl ether (CHEBI:184550) is a leucoanthocyanidin (CHEBI:60835)
IUPAC Name 
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-ethoxy-3,4-dihydro-2H-chromene-3,7,8-triol
Manual XrefsDatabases
10290106ChemSpider
LMPK12020196LIPID MAPS