(Q105262094)

English

methyl (2S,3S,4R)-3-ethenyl-4-[[(2S,4R)-4-methyl-1,3-dioxan-2-yl]methyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-ethenyl-4-[(4-methyl-1,3-dioxan-2-yl)methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

460.194461844 dalton

1 reference

2 references

inferred from InChIKey

1 reference

methyl (2S,3S,4S)-3-ethenyl-4-[[(2R,4S)-4-methyl-1,3-dioxan-2-yl]methyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₁₁

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3OCCC(O3)C

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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]1C[C@H]1OCC[C@@H](C)O1

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found in taxon

Sinoadina racemosa

1 reference

stated in

Six secoiridoid glucosides from Adina racemosa

Identifiers

InChI

InChI=1S/C21H32O11/c1-4-11-12(7-15-28-6-5-10(2)30-15)13(19(26)27-3)9-29-20(11)32-21-18(25)17(24)16(23)14(8-22)31-21/h4,9-12,14-18,20-25H,1,5-8H2,2-3H3/t10-,11+,12-,14-,15+,16+,17+,18-,20+,21+/m1/s1

0 references

InChIKey

SVJKQLMNDPSOQK-KQYZOXBASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SVJKQLMNDPSOQK-KQYZOXBASA-N

(Q105262094)

methyl (2S,3S,4R)-3-ethenyl-4-[[(2S,4R)-4-methyl-1,3-dioxan-2-yl]methyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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