(Q105272021)

English

methyl (2R,3S,4S)-3-formyl-2-methyl-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-3,4-dihydro-2H-pyran-5-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 3-formyl-2-methyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

524.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₁₂

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canonical SMILES

O=CC1C(OC=C(C(=O)OC)C1CC(=O)OCC2OC(OCCC3=CC=C(O)C=C3)C(O)C(O)C2O)C

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isomeric SMILES

COC(=O)C1=CO[C@H](C)[C@@H](C=O)[C@@H]1CC(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Ligustrum lucidum

1 reference

stated in

Secoiridoid Constituents from the Fruits ofLigustrum lucidum

Identifiers

InChI

InChI=1S/C25H32O12/c1-13-17(10-26)16(18(11-35-13)24(32)33-2)9-20(28)36-12-19-21(29)22(30)23(31)25(37-19)34-8-7-14-3-5-15(27)6-4-14/h3-6,10-11,13,16-17,19,21-23,25,27,29-31H,7-9,12H2,1-2H3/t13-,16+,17-,19-,21-,22+,23-,25-/m1/s1

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InChIKey

UFPOZADSZLUVBX-SRTOJEJDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UFPOZADSZLUVBX-SRTOJEJDSA-N

(Q105272021)

methyl (2R,3S,4S)-3-formyl-2-methyl-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-3,4-dihydro-2H-pyran-5-carboxylate

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