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(Q104993678)
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English
Palythazine
group of stereoisomers with the chemical formula C₁₂H₁₆N₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
252.111006992
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₆N₂O₄
0 references
canonical SMILES
OCC1OCC2=NC3=C(N=C2C1)COC(CO)C3
0 references
Identifiers
InChI
InChI=1S/C12H16N2O4/c15-3-7-1-9-11(5-17-7)14-10-2-8(4-16)18-6-12(10)13-9/h7-8,15-16H,1-6H2
0 references
InChIKey
FDOHUZKENKIHJT-UHFFFAOYSA-N
0 references
PubChem CID
74051551
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FDOHUZKENKIHJT-UHFFFAOYSA-N
ChEBI ID
181468
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H16N2O4/c15-3-7-1-9-11(5-17-7)14-10-2-8(4-16)18-6-12(10)13-9/h7-8,15-16H,1-6H2
UniChem compound ID
77017366
1 reference
stated in
UniChem
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