(Q104920608)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

alkaloid

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mass

524.1768004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀NO₁₂

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canonical SMILES

O=C(O)C=1C=C(C=CC2C(=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C)C(=O)O)[CH]N(C1)CCO

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isomeric SMILES

C=C[C@H]1[C@H](/C=C/C2=CC(C(=O)O)=CN(CCO)[CH]2)C(C(=O)O)=CO[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

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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/C24H30NO12/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)(H,33,34)/b4-3+/t14-,15-,17+,18-,19-,20+,23+,24-/m0/s1

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InChIKey

AXKDRDXXIFCZRJ-WMAQMIOOSA-N

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(Q104920608)

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

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Identifiers

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