loading...| Preferred Name |
equol |
|
| Synonyms |
4',7-Dihydroxyisoflavan (S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-Benzopyran-7-ol (S)-(-)-4',7-Isoflavandiol 4',7-Isoflavandiol (-)-(S)-Equol equol (-)-Equol (S)-Equol (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol Equol |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_34741 |
|
| charge |
0 |
|
| formula |
C15H14O3 |
|
| hasDbXref |
Wikipedia:Equol KNApSAcK:C00009707 CAS:531-95-3 PMID:11410004 LIPID_MAPS_instance:LMPK12080003 KEGG:C14131 HMDB:HMDB0002209 PMID:17579895 PMID:17579894 PMID:17449595 |
|
| hasExactSynonym |
(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol Equol |
|
| hasOBONamespace |
chebi_ontology |
|
| hasRelatedSynonym |
4',7-Dihydroxyisoflavan (S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-Benzopyran-7-ol (S)-(-)-4',7-Isoflavandiol 4',7-Isoflavandiol (-)-(S)-Equol equol (-)-Equol (S)-Equol |
|
| id |
CHEBI:34741 |
|
| 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 |
|
| inSubset | ||
| label |
equol |
|
| mass |
242.26990 |
|
| monoisotopicmass |
242.09429 |
|
| notation |
CHEBI:34741 |
|
| prefLabel |
equol |
|
| smiles |
Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1 |
|
| subClassOf |