CHEBI:193020 - Gmelinol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Gmelinol
ChEBI ID CHEBI:193020
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26O7
Net Charge 0
Average Mass 402.443
Monoisotopic Mass 402.16785
InChI InChI=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
InChIKey MEIWPHMJWJAVIY-UHFFFAOYSA-N
SMILES O1C(C2(O)C(C(OC2)C3=CC(OC)=C(OC)C=C3)C1)C4=CC(OC)=C(OC)C=C4
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in cecum (BTO:0000166). of strain Sprague Dawley [EFO:0001352] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
205294 ChemSpider
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