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CHEBI:193020 - Gmelinol

ChEBI IDCHEBI:193020
ChEBI NameGmelinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O7
Net Charge0
Average Mass402.443
Monoisotopic Mass402.16785
SMILESCOc1ccc(C2OCC3(O)C(c4ccc(OC)c(OC)c4)OCC23)cc1OC
InChIInChI=1S/C22H26O7/c1-24-16-7-5-13(9-18(16)26-3)20-15-11-28-21(22(15,23)12-29-20)14-6-8-17(25-2)19(10-14)27-4/h5-10,15,20-21,23H,11-12H2,1-4H3
InChIKeyMEIWPHMJWJAVIY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) cecum (BTO:0000166) MetaboLights (MTBLS3943) Strain: Sprague Dawley [EFO:0001352]
ChEBI Ontology
Outgoing Relation(s)
Gmelinol (CHEBI:193020) is a lignan (CHEBI:25036)
IUPAC Name 
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-ol
Manual XrefsDatabases
205294ChemSpider