(Q105169781)

English

5-carboxy-3-[(1E)-2-[(2S,3R,4R)-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]-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

538.192450464 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂NO₁₂

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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)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)OC)[C@@H]1/C=C/C1=CC(C(=O)O)=CN(CCO)[CH]1

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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/C25H32NO12/c1-3-15-16(5-4-13-8-14(22(32)33)10-26(9-13)6-7-27)17(23(34)35-2)12-36-24(15)38-25-21(31)20(30)19(29)18(11-28)37-25/h3-5,8-10,12,15-16,18-21,24-25,27-31H,1,6-7,11H2,2H3,(H,32,33)/b5-4+/t15-,16-,18-,19-,20+,21-,24+,25+/m1/s1

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InChIKey

MPWHMYZPTQZGPC-RJHTZORGSA-N

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(Q105169781)

5-carboxy-3-[(1E)-2-[(2S,3R,4R)-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]-1-(2-hydroxyethyl)-2H-pyridin-2-yl

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