(Q105035486)

English

[(2R,3R,4R,5S,6S)-6-[(3S,4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-(4-Ethyl-4-methyl-2-oxooxolan-3-yl)oxy-5-hydroxy-2-(hydroxymethyl)-4-(2-methylbut-2-enoyloxy)oxan-3-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

470.215197288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₁₀

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canonical SMILES

O=C(OC1C(O)C(OC2C(=O)OCC2(C)CC)OC(CO)C1OC(=O)C(=CC)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1[C@H](O)[C@H](O[C@@H]2C(=O)OC[C@]2(C)CC)O[C@H](CO)[C@H]1OC(=O)/C(C)=C\C

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found in taxon

Marshallia graminifolia

1 reference

stated in

Flavonoids inositol esters and pantolactone homologues from marshallia tenuifolia

Vernonia angustifolia

1 reference

stated in

Flavonoids inositol esters and pantolactone homologues from marshallia tenuifolia

Identifiers

InChI

InChI=1S/C23H34O10/c1-7-12(4)19(26)31-16-14(10-24)30-22(15(25)17(16)32-20(27)13(5)8-2)33-18-21(28)29-11-23(18,6)9-3/h7-8,14-18,22,24-25H,9-11H2,1-6H3/b12-7-,13-8-/t14-,15+,16-,17-,18-,22+,23+/m1/s1

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InChIKey

HYVRDAVINPRPHX-QDGROAIRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HYVRDAVINPRPHX-QDGROAIRSA-N

(Q105035486)

[(2R,3R,4R,5S,6S)-6-[(3S,4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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