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CHEBI:186177 - (+)-8-Hydroxy-5,5-dimethylpeltogynan

ChEBI IDCHEBI:186177
ChEBI Name(+)-8-Hydroxy-5,5-dimethylpeltogynan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILES[H][C@]12Cc3c(O)cc(O)cc3O[C@]1([H])c1cc(O)c(O)cc1C(C)(C)O2
InChIInChI=1S/C18H18O6/c1-18(2)11-7-14(22)13(21)5-9(11)17-16(24-18)6-10-12(20)3-8(19)4-15(10)23-17/h3-5,7,16-17,19-22H,6H2,1-2H3/t16-,17+/m0/s1
InChIKeyQEJAXMORBPLKCL-DLBZAZTESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(+)-8-Hydroxy-5,5-dimethylpeltogynan (CHEBI:186177) is a catechin (CHEBI:23053)
IUPAC Name 
(6aS,12aR)-5,5-dimethyl-7,12a-dihydro-6aH-isochromeno[4,3-b]chromene-2,3,8,10-tetrol
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LMPK12020152LIPID MAPS
9820360ChemSpider