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(Q105013797)
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English
[(7R,8S)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Neotriangularine
1 reference
based on heuristic
inferred from SMILES
Alkaloid A
1 reference
based on heuristic
inferred from SMILES
(7-{[(2E)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-yl)methyl (2E)-2-(hydroxymethyl)but-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
335.1732729
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
triangularine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-(hydroxymethyl)but-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
triangularine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Triangularicine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₅NO₅
0 references
canonical SMILES
O=C(OCC1=CCN2CCC(OC(=O)C(=CC)C)C12)C(=CC)CO
0 references
isomeric SMILES
C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)/C(=C\C)CO)[C@@H]12
0 references
found in taxon
Alkanna tinctoria
1 reference
stated in
Pyrrolizidine alkaloids from Alkanna tinctoria
Senecio triangularis
1 reference
stated in
The pyrrolizidine alkaloids of Senecio triangularis
Identifiers
InChI
InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5-/t15-,16+/m1/s1
0 references
InChIKey
GOENJWUGVSLZDQ-QBBRUWNISA-N
0 references
PubChem CID
162962415
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GOENJWUGVSLZDQ-QBBRUWNISA-N
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