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Examples:
iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:81555 - Enterolactone
Main
ChEBI Ontology
Automatic Xrefs
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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:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
ChEBI Ontology
Outgoing
Enterolactone (
CHEBI:81555
)
is a
lignan (
CHEBI:25036
)
Synonyms
Sources
2,3-Bis(3'-hydroxybenzyl)butyrolactone
HMDB
3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone
HMDB
3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
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
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