(Q110187092)

English

5-[(E)-2-[(2S,3R,4S)-5-carboxy-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

523.168975368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₉NO₁₂

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canonical SMILES

O=C([O-])C1=CC(C=CC2C(=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C)C(=O)O)=C[N+](=C1)CCO

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isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1/C=C/c1cc(C(=O)[O-])c[n+](CCO)c1

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found in taxon

Lonicera japonica

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stated in

Pyridinium alkaloid-coupled secoiridoids from the flower buds of Lonicera japonica

Identifiers

InChI

InChI=1S/C24H29NO12/c1-2-14-15(4-3-12-7-13(21(31)32)9-25(8-12)5-6-26)16(22(33)34)11-35-23(14)37-24-20(30)19(29)18(28)17(10-27)36-24/h2-4,7-9,11,14-15,17-20,23-24,26-30H,1,5-6,10H2,(H-,31,32,33,34)/b4-3+/t14-,15+,17-,18-,19+,20-,23+,24+/m1/s1

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InChIKey

DXFHNEGQVDLRDO-KBCYOOEFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DXFHNEGQVDLRDO-KBCYOOEFSA-N

1 reference

(Q110187092)

5-[(E)-2-[(2S,3R,4S)-5-carboxy-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate

Statements

Identifiers

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