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(Q110184547)
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English
cocaine
group of stereoisomers with the chemical formula C₁₇H₂₁NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
tertiary amine
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ester
0 references
mass
303.147058152
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₁NO₄
0 references
canonical SMILES
O=C(OC1CC2N(C)C(CC2)C1C(=O)OC)C=3C=CC=CC3
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found in taxon
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
0 references
InChIKey
ZPUCINDJVBIVPJ-UHFFFAOYSA-N
0 references
PubChem CID
2826
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZPUCINDJVBIVPJ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL21931
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZPUCINDJVBIVPJ-UHFFFAOYSA-N
UniChem compound ID
884752
1 reference
stated in
UniChem
NMRShiftDB structure ID
10016310
1 reference
matched by identifier from
InChIKey
InChIKey
ZPUCINDJVBIVPJ-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0243537
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZPUCINDJVBIVPJ-UHFFFAOYSA-N
Probes And Drugs ID
PD017605
0 references
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