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CHEBI:193444 - Ortin-4alpha-ol 8-methyl ether

ChEBI IDCHEBI:193444
ChEBI NameOrtin-4alpha-ol 8-methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESCOc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)[C@@H](O)[C@@H]2O
InChIInChI=1S/C16H16O6/c1-21-16-11(18)7-6-10-12(19)13(20)14(22-15(10)16)8-2-4-9(17)5-3-8/h2-7,12-14,17-20H,1H3/t12-,13+,14-/m1/s1
InChIKeyGTCSLCFHBRXPGV-HZSPNIEDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Ortin-4alpha-ol 8-methyl ether (CHEBI:193444) is a leucoanthocyanidin (CHEBI:60835)
IUPAC Name 
(2R,3S,4R)-2-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-2H-chromene-3,4,7-triol
Manual XrefsDatabases
LMPK12020189LIPID MAPS
24842608ChemSpider