Preferred Name |
tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate |
|
Synonyms |
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate dl-Hyoscyamine |
|
Definitions |
A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_78734 |
|
charge |
0 |
|
database_cross_reference |
KEGG:C01479 KEGG:D00113 CAS:51-55-8 KNApSAcK:C00002277 |
|
definition |
A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3. |
|
formula |
C17H23NO3 |
|
has functional parent | ||
has role | ||
has_exact_synonym |
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
dl-Hyoscyamine |
|
id |
CHEBI:78734 |
|
in_subset | ||
inchi |
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? |
|
inchikey |
RKUNBYITZUJHSG-SPUOUPEWSA-N |
|
is conjugate base of | ||
label |
tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate |
|
mass |
289.36940 |
|
monoisotopicmass |
289.16779 |
|
notation |
CHEBI:78734 |
|
prefLabel |
tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate |
|
smiles |
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |
|
treeView | ||
subClassOf |
Delete | Mapping To | Ontology | Source |
---|---|---|---|
http://purl.obolibrary.org/obo/CHEBI_78734 | PDRO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_78734 | FIDEO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_78734 | GO-PLUS | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_78734 | BERO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_78734 | DRON | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_78734 | NIFSTD | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_78734 | PDRO | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_78734 | GO-PLUS | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_78734 | BERO | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_78734 | DRON | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_78734 | NIFSTD | LOOM |