(Q105187599)

English

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4,5-Dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxyoxan-3-yl] 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

540.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₈O₁₁

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canonical SMILES

O=C(OC1C(OC2=C(O)C=C(C=3C(=O)C=C(OC23)CC(=O)C)C)OC(CO)C(O)C1O)C=CC=4C=CC=CC4

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isomeric SMILES

CC(=O)Cc1cc(=O)c2c(C)cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C/c3ccccc3)c2o1

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found in taxon

Aloe peglerae

1 reference

stated in

Aloeresins E and F, two chromone derivatives from Aloe peglerae

Identifiers

InChI

InChI=1S/C28H28O11/c1-14-10-19(32)25(26-22(14)18(31)12-17(36-26)11-15(2)30)39-28-27(24(35)23(34)20(13-29)37-28)38-21(33)9-8-16-6-4-3-5-7-16/h3-10,12,20,23-24,27-29,32,34-35H,11,13H2,1-2H3/b9-8+/t20-,23-,24+,27-,28+/m1/s1

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InChIKey

NYOPZPSMCHXQQI-JPGMEIRPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NYOPZPSMCHXQQI-JPGMEIRPSA-N

(Q105187599)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate

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Identifiers

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