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Ontologies
CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_31170
http://purl.obolibrary.org/obo/CHEBI_31170
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_31170
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Preferred name
O-acetyltropine
Synonyms
endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol acetate (ester)
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl acetate
Acetyltropine
3-Acetyltropine
Definitions
An O-acyltropine in which the acyl group is acetyl.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(C)=O
obo_purl:charge
0
obo_purl:inchikey
MDIDMOWWLBGYPG-MYJAWHEDSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_75771
oboinowl_gen:hasDbXref
KNApSAcK:C00025551
CAS:3423-27-6
obo_purl:IAO_0000115
An O-acyltropine in which the acyl group is acetyl.
skos:notation
CHEBI:31170
oboinowl_gen:hasExactSynonym
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl acetate
obo_purl:mass
183.24750
obo_purl:inchi
InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10+
obo_purl:formula
C10H17NO2
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol acetate (ester)
Acetyltropine
3-Acetyltropine
oboinowl_gen:id
CHEBI:31170
rdfs:label
O-acetyltropine
obo_purl:monoisotopicmass
183.12593
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_52656
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