CHEBI:81556 - Enterodiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Enterodiol
ChEBI ID CHEBI:81556
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H22O4
Net Charge 0
Average Mass 302.36490
Monoisotopic Mass 302.152
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)
IUPAC Name
(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
Synonyms Sources
(-)-Enterodiol HMDB
(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol 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
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Registry Number Type Source
80226-00-2 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
12270221 PubMed citation Europe PMC
17976571 PubMed citation Europe PMC
Last Modified
23 October 2015