(Q104998998)

English

[(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₁₃H₂₁NO₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

pyrrolizidine alkaloid

1 reference

inferred from

pyrrolizidine alkaloid

mass

239.152143532 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₂₁NO₃

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canonical SMILES

O=C(OCC1CCN2CCC(O)C21)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)OC[C@H]1CCN2CC[C@@H](O)C12

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found in taxon

Senecio macedonicus

1 reference

stated in

Alkaloids from the Roots of Senecio macedonicus Griseb

Identifiers

InChI

InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12?/m1/s1

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InChIKey

FOWFFDPFIJUTGG-UKOLHGAESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FOWFFDPFIJUTGG-UKOLHGAESA-N

1 reference

(Q104998998)

[(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate

Statements

Identifiers

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