CHEBI:81555 - Enterolactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Enterolactone
ChEBI ID CHEBI:81555
Stars This entity has been manually annotated by a third party.
Supplier Information
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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:txidtxid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing Enterolactone (CHEBI:81555) is a lignan (CHEBI:25036)
IUPAC Name
3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
Synonyms Sources
2,3-Bis(3'-hydroxybenzyl)butyrolactone HMDB
3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone 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 Waiting for 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