(Q105175062)

English

Adonifoline

group of stereoisomers with the chemical formula C₁₈H₂₃NO₇

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Statements

group of stereoisomers

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pyrrolizidine alkaloid

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pyrrolizidine alkaloid

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365.147452076 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₃NO₇

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canonical SMILES

O=C1OCC2=CCN3CCC(OC(=O)C4(O)CC5(OC15C)COC4C)C23

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isomeric SMILES

CC1OCC23CC1(O)C(=O)O[C@@H]1CCN4CC=C(COC(=O)C2(C)O3)[C@H]14

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Jacobaea adonidifolia

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Revised structure of the main alkaloid of Senecio adonidifolius

Identifiers

InChI=1S/C18H23NO7/c1-10-18(22)8-17(9-24-10)16(2,26-17)14(20)23-7-11-3-5-19-6-4-12(13(11)19)25-15(18)21/h3,10,12-13,22H,4-9H2,1-2H3/t10?,12-,13-,16?,17?,18?/m1/s1

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MYOFCWPLRKBPJD-AQYQBICXSA-N

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17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

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