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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | benzoin | |
| Synonyms |
2-Hydroxy-2-phenylacetophenone PhCH(OH)COPh Benzoylphenylcarbinol Phenyl-alpha-hydroxybenzyl ketone PhCOCH(OH)Ph Hydroxy-2-phenyl acetophenone 2-Hydroxy-1,2-diphenylethanone alpha-hydroxy-alpha-phenylacetophenone Phenylbenzoyl carbinol alpha-Hydroxy-alpha-phenylacetophenone 2-hydroxy-1,2-diphenylethanone phenyl-alpha-hydroxybenzyl ketone alpha-Hydroxybenzyl phenyl ketone Benzoin benzoin |
|
| Definitions |
A ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the alpha-position. The parent of the class of benzoins. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17682 |
|
| alternative term |
2-Hydroxy-2-phenylacetophenone PhCH(OH)COPh Benzoylphenylcarbinol Phenyl-alpha-hydroxybenzyl ketone PhCOCH(OH)Ph Hydroxy-2-phenyl acetophenone 2-Hydroxy-1,2-diphenylethanone alpha-hydroxy-alpha-phenylacetophenone Phenylbenzoyl carbinol alpha-Hydroxy-alpha-phenylacetophenone 2-hydroxy-1,2-diphenylethanone phenyl-alpha-hydroxybenzyl ketone alpha-Hydroxybenzyl phenyl ketone Benzoin benzoin
|
|
| bearer of | ||
| charge |
0
|
|
| database_cross_reference |
Beilstein:391839 CAS:119-53-9 PMID:16107154 Reaxys:391839 PMID:17399985 Drug_Central:4663 KEGG:C01408 HMDB:HMDB0032039 PMID:15828829 Wikipedia:Benzoin
|
|
| definition |
A ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the alpha-position. The parent of the class of benzoins.
|
|
| formula |
C14H12O2
|
|
| has_alternative_id |
CHEBI:22724 CHEBI:13880 CHEBI:3031
|
|
| has_exact_synonym |
2-hydroxy-1,2-diphenylethanone Benzoin benzoin
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
2-Hydroxy-2-phenylacetophenone PhCH(OH)COPh Benzoylphenylcarbinol Phenyl-alpha-hydroxybenzyl ketone PhCOCH(OH)Ph Hydroxy-2-phenyl acetophenone 2-Hydroxy-1,2-diphenylethanone alpha-hydroxy-alpha-phenylacetophenone Phenylbenzoyl carbinol alpha-Hydroxy-alpha-phenylacetophenone 2-hydroxy-1,2-diphenylethanone phenyl-alpha-hydroxybenzyl ketone alpha-Hydroxybenzyl phenyl ketone
|
|
| id |
CHEBI:17682
|
|
| in_subset | ||
| inchi |
InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
|
|
| inchikey |
ISAOCJYIOMOJEB-UHFFFAOYSA-N
|
|
| label |
benzoin
|
|
| mass |
212.24388
|
|
| monoisotopicmass |
212.08373
|
|
| notation |
CHEBI:17682
|
|
| prefLabel |
benzoin
|
|
| RO_0000087 | ||
| smiles |
OC(C(=O)c1ccccc1)c1ccccc1
|
|
| subClassOf |
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