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CHEBI:81555 - Enterolactone

ChEBI IDCHEBI:81555
ChEBI NameEnterolactone
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC18H18O4
Net Charge0
Average Mass298.338
Monoisotopic Mass298.12051
SMILESO=C1OC[C@@H](Cc2cccc(O)c2)[C@@H]1Cc1cccc(O)c1
InChIInChI=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
InChIKeyHVDGDHBAMCBBLR-PBHICJAKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (17976571)
ChEBI Ontology
Outgoing Relation(s)
Enterolactone (CHEBI:81555) is a lignan (CHEBI:25036)
Synonyms  Source
3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanoneHMDB
2,3-Bis(3'-hydroxybenzyl)butyrolactoneHMDB
3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-oneHMDB
Dihydro-3,4-bis((3-hydroxyphenyl)methyl)-2(3H)-FuranoneHMDB
Manual XrefsDatabases
C18165KEGG COMPOUND
2-CHLORO-TRANS-DIENELACTONEMetaCyc
C00000703KNApSAcK
HMDB0006101HMDB
Registry NumbersSources
CAS:78473-71-9KEGG COMPOUND
CAS:76543-15-2KEGG COMPOUND
Citations