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9-Senecioylretronecine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 3-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
237.136493468
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₉NO₃
0 references
canonical SMILES
O=C(OCC1=CCN2CCC(O)C12)C=C(C)C
0 references
isomeric SMILES
CC(C)=CC(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
0 references
found in taxon
Echium humile
1 reference
stated in
Pyrrolizidine and tetrahydroisoquinoline alkaloids from Echium humile
Alkanna orientalis
1 reference
stated in
Pyrrolizidine alkaloids in members of the Boraginaceae from Sinai (Egypt)
Senecio variabilis
1 reference
stated in
Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species
Identifiers
InChI
InChI=1S/C13H19NO3/c1-9(2)7-12(16)17-8-10-3-5-14-6-4-11(15)13(10)14/h3,7,11,13,15H,4-6,8H2,1-2H3/t11-,13-/m1/s1
0 references
InChIKey
ILQKJOOWZFSMTN-DGCLKSJQSA-N
0 references
CAS Registry Number
88205-11-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
15765645
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ILQKJOOWZFSMTN-DGCLKSJQSA-N
UniChem compound ID
96875464
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201126138
1 reference
matched by identifier from
InChIKey
InChIKey
ILQKJOOWZFSMTN-DGCLKSJQSA-N
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