EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81556 - Enterodiol

ChEBI IDCHEBI:81556
ChEBI NameEnterodiol
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC18H22O4
Net Charge0
Average Mass302.370
Monoisotopic Mass302.15181
SMILESOC[C@H](Cc1cccc(O)c1)[C@H](CO)Cc1cccc(O)c1
InChIInChI=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
InChIKeyDWONJCNDULPHLV-HOTGVXAUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (17976571)
ChEBI Ontology
Outgoing Relation(s)
Enterodiol (CHEBI:81556) is a lignan (CHEBI:25036)
Synonyms  Source
[R-(R*,R*)]-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-ButanediolHMDB
Arbo 9HMDB
(-)-EnterodiolHMDB
(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-ButanediolHMDB
(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diolHMDB
Manual XrefsDatabases
C18166KEGG COMPOUND
HMDB0005056HMDB
Registry NumbersSources
CAS:80226-00-2KEGG COMPOUND
Citations