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(Q104253915)
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English
symphytine
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(=CC)C
0 references
isomeric SMILES
C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)[C@H]12
0 references
found in taxon
Symphytum caucasicum
1 reference
stated in
Analysis of herbal teas made from the leaves of comfrey (Symphytum officinale): reduction of N-oxides results in order of magnitude increases in the measurable concentration of pyrrolizidine alkaloids
Symphytum orientale
1 reference
stated in
Analysis of herbal teas made from the leaves of comfrey (Symphytum officinale): reduction of N-oxides results in order of magnitude increases in the measurable concentration of pyrrolizidine alkaloids
Symphytum uplandicum
1 reference
stated in
Analysis of herbal teas made from the leaves of comfrey (Symphytum officinale): reduction of N-oxides results in order of magnitude increases in the measurable concentration of pyrrolizidine alkaloids
Identifiers
InChI
InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17+,20?/m0/s1
0 references
InChIKey
MVWPTZQHBOWRTF-VJNCLFHASA-N
0 references
PubChem CID
6435910
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MVWPTZQHBOWRTF-VJNCLFHASA-N
UniChem compound ID
66488844
1 reference
stated in
UniChem
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