CHEBI:81555 - Enterolactone

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ChEBI Name Enterolactone ChEBI ID CHEBI:81555 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H18O4 Net Charge 0 Average Mass 298.33310 Monoisotopic Mass 298.12051 InChI InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1 InChIKey HVDGDHBAMCBBLR-PBHICJAKSA-N SMILES Oc1cccc(C[C@@H]2COC(=O)[C@H]2Cc2cccc(O)c2)c1 Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing Enterolactone (CHEBI:81555) is a lignan (CHEBI:25036) Synonyms Sources 2,3-Bis(3'-hydroxybenzyl)butyrolactone HMDB 3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone HMDB 3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one HMDB Dihydro-3,4-bis((3-hydroxyphenyl)methyl)-2(3H)-Furanone HMDB Manual Xrefs Databases 2-CHLORO-TRANS-DIENELACTONE MetaCyc C00000703 KNApSAcK C18165 KEGG COMPOUND HMDB0006101 HMDB View more database links Registry Numbers Types Sources 76543-15-2 CAS Registry Number KEGG COMPOUND 78473-71-9 CAS Registry Number KEGG COMPOUND Citations Types Sources 11216511 PubMed citation Europe PMC 12107024 PubMed citation Europe PMC 12270221 PubMed citation Europe PMC 16168401 PubMed citation Europe PMC 17976571 PubMed citation Europe PMC Last Modified 23 October 2015