(Q104253915)

English

symphytine

group of stereoisomers with the chemical formula C₂₀H₃₁NO₆

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instance of

group of stereoisomers

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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

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canonical SMILES

O=C(OC1CCN2CC=C(COC(=O)C(O)(C(O)C)C(C)C)C21)C(=CC)C

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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

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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

Russian comfrey

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

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InChIKey

MVWPTZQHBOWRTF-VJNCLFHASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

MVWPTZQHBOWRTF-VJNCLFHASA-N

1 reference

(Q104253915)

symphytine

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