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(Q105384862)
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English
7-Senecioylrinderine
group of stereoisomers with the chemical formula C₂₀H₃₁NO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolizidine alkaloid
1 reference
inferred from
pyrrolizidine alkaloid
mass
381.215137712
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₁NO₆
0 references
canonical SMILES
O=C(OC1CCN2CC=C(COC(=O)C(O)(C(O)C)C(C)C)C21)C=C(C)C
0 references
isomeric SMILES
CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)C12
0 references
found in taxon
Paracaryum rugulosum
1 reference
stated in
Pyrrolizidine alkaloids in members of the Boraginaceae from Sinai (Egypt)
Identifiers
InChI
InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18?,20-/m0/s1
0 references
InChIKey
ZWERTNOSRULRHC-GSFVCHAYSA-N
0 references
PubChem CID
91747353
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZWERTNOSRULRHC-GSFVCHAYSA-N
UniChem compound ID
100519683
1 reference
stated in
UniChem
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