(Q105137836)

English

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

580.203015148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄NO₁₃

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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)OC)[CH]N(C1)CCCC(=O)O

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isomeric SMILES

C=C[C@H]1[C@H](/C=C/C2=CC(C(=O)O)=CN(CCCC(=O)O)[CH]2)C(C(=O)OC)=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/C27H34NO13/c1-3-16-17(7-6-14-9-15(24(35)36)11-28(10-14)8-4-5-20(30)31)18(25(37)38-2)13-39-26(16)41-27-23(34)22(33)21(32)19(12-29)40-27/h3,6-7,9-11,13,16-17,19,21-23,26-27,29,32-34H,1,4-5,8,12H2,2H3,(H,30,31)(H,35,36)/b7-6+/t16-,17-,19+,21+,22-,23+,26+,27-/m0/s1

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InChIKey

KAHJSQLAOFTJLF-BWHOAHJQSA-N

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(Q105137836)

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

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Identifiers

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