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(Q82928527)
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English
13-Hydroxy-3,4,5,6-tetradehydrospartein-2-one
group of stereoisomers with the chemical formula C₁₅H₂₀N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
260.15247788
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=c1cccc2n1CC1CC2CN2CCC(O)CC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=c1cccc2n1C[C@H]1C[C@@H]2CN2CCC(O)C[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2/t10-,11-,12?,14+/m1/s1
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InChIKey
AOOCSKCGZYCEJX-OCNDCOMTSA-N
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CAS Registry Number
27773-56-4
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PubChem CID
186118
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42182013
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20950457
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DSSTOX compound identifier
DTXCID801378616
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