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CHEBI:193311 - Mesquitol-4alpha-ol 8-methyl ether

ChEBI IDCHEBI:193311
ChEBI NameMesquitol-4alpha-ol 8-methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOc1c(O)ccc2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2O
InChIInChI=1S/C16H16O7/c1-22-16-10(18)5-3-8-12(20)13(21)14(23-15(8)16)7-2-4-9(17)11(19)6-7/h2-6,12-14,17-21H,1H3/t12-,13+,14-/m1/s1
InChIKeyILQKGSIPOHRREM-HZSPNIEDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Mesquitol-4alpha-ol 8-methyl ether (CHEBI:193311) is a leucoanthocyanidin (CHEBI:60835)
IUPAC Name 
(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-8-methoxy-3,4-dihydro-2H-chromene-3,4,7-triol
Manual XrefsDatabases
24842611ChemSpider
LMPK12020194LIPID MAPS