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(Q105036223)
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Jacobine
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolizidine alkaloid
1 reference
inferred from
pyrrolizidine alkaloid
macrolides
1 reference
inferred from
macrolides
mass
351.16818752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₅NO₆
0 references
canonical SMILES
O=C1OCC2=CCN3CCC(OC(=O)C4(OC4C)CC(C)C1(O)C)C23
0 references
found in taxon
Senecio scandens
1 reference
stated in
The alkaloids of Senecio jacobaea L: The structures of the Alkaloids and the Necic Acids
Senecio incanus
1 reference
stated in
The alkaloids of Senecio jacobaea L: The structures of the Alkaloids and the Necic Acids
Senecio cinerarius
2 references
stated in
The alkaloids of Senecio jacobaea L: The structures of the Alkaloids and the Necic Acids
stated in
131. Alkaloids of senecio. Part III. Jacobine, jacodine, and jaconine
Jacobaea vulgaris
2 references
stated in
The alkaloids of Senecio jacobaea L: The structures of the Alkaloids and the Necic Acids
stated in
The Alkaloids of Senecio jacobaea L.
Identifiers
InChI
InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3
0 references
InChIKey
IAPHXJRHXBQDQJ-UHFFFAOYSA-N
0 references
PubChem CID
577603
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IAPHXJRHXBQDQJ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1149295
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IAPHXJRHXBQDQJ-UHFFFAOYSA-N
UniChem compound ID
47412011
1 reference
stated in
UniChem
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