CHEBI:81556 - Enterodiol

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ChEBI Name Enterodiol ChEBI ID CHEBI:81556 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 C18H22O4 Net Charge 0 Average Mass 302.36490 Monoisotopic Mass 302.15181 InChI InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1 InChIKey DWONJCNDULPHLV-HOTGVXAUSA-N SMILES OC[C@H](Cc1cccc(O)c1)[C@H](CO)Cc1cccc(O)c1 Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing Enterodiol (CHEBI:81556) is a lignan (CHEBI:25036) Synonyms Sources (-)-Enterodiol HMDB (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol HMDB (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol HMDB [R-(R*,R*)]-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol HMDB Arbo 9 HMDB Manual Xrefs Databases C18166 KEGG COMPOUND HMDB0005056 HMDB View more database links Registry Number Type Source 80226-00-2 CAS Registry Number KEGG COMPOUND Citations Types Sources 12270221 PubMed citation Europe PMC 17976571 PubMed citation Europe PMC Last Modified 23 October 2015