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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:34741 - equol
Main
ChEBI Ontology
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ChEBI Name
equol
ChEBI ID
CHEBI:34741
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C15H14O3
Net Charge
0
Average Mass
242.26990
Monoisotopic Mass
242.09429
InChI
InChI=1S/C15H14O3/c16-
13-
4-
1-
10(2-
5-
13)
12-
7-
11-
3-
6-
14(17)
8-
15(11)
18-
9-
12/h1-
6,8,12,16-
17H,7,9H2/t12-
/m1/s1
InChIKey
ADFCQWZHKCXPAJ-GFCCVEGCSA-N
SMILES
Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in blood
(UBERON:0000178)
. See:
PubMed
ChEBI Ontology
Outgoing
equol (
CHEBI:34741
)
is a
hydroxyisoflavans (
CHEBI:76250
)
IUPAC Name
(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Synonyms
Sources
(-)-(S)-Equol
HMDB
(-)-Equol
HMDB
(S)-(-)-4',7-Isoflavandiol
HMDB
(S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-Benzopyran-7-ol
HMDB
(S)-Equol
HMDB
4',7-Dihydroxyisoflavan
HMDB
4',7-Isoflavandiol
HMDB
Equol
KEGG COMPOUND
Manual Xrefs
Databases
C00009707
KNApSAcK
C14131
KEGG COMPOUND
Equol
Wikipedia
HMDB0002209
HMDB
LMPK12080003
LIPID MAPS
View more database links
Registry Number
Type
Source
531-95-3
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
11410004
PubMed citation
Europe PMC
17449595
PubMed citation
Europe PMC
17579894
PubMed citation
Europe PMC
17579895
PubMed citation
Europe PMC
Last Modified
10 July 2017