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loading...| Preferred Name |
Isoamyl salicylate |
|
| Synonyms |
3-methylbutyl 2-hydroxybenzoate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_173601 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:87-20-7 HMDB:HMDB0040225 Chemspider:6612 |
|
| formula |
C12H16O3 |
|
| has functional parent | ||
| has_exact_synonym |
3-methylbutyl 2-hydroxybenzoate |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:173601 |
|
| in_subset | ||
| inchi |
InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3 |
|
| inchikey |
PMGCQNGBLMMXEW-UHFFFAOYSA-N |
|
| label |
Isoamyl salicylate |
|
| mass |
208.257 |
|
| monoisotopicmass |
208.10994 |
|
| notation |
CHEBI:173601 |
|
| prefLabel |
Isoamyl salicylate |
|
| smiles |
O(CCC(C)C)C(=O)C=1C(O)=CC=CC1 |
|
| treeView | ||
| subClassOf |
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