(Q105214736)

English

4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-methylchromen-2-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

4-[4,5-Dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-5-methylchromen-2-one

1 reference

based on heuristic

inferred from SMILES

484.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₁₂

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canonical SMILES

O=C1OC2=CC=CC(=C2C(OC3C(O)C(O)C(OCC4OC(O)C(O)C(O)C4O)OC3C)=C1)C

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isomeric SMILES

Cc1cccc2oc(=O)cc(O[C@H]3[C@H](C)O[C@@H](OC[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)c12

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Gerbera jamesonii

1 reference

Cyanogenic glycosides and 4-hydroxycoumarin glycosides from Gerbera jamesonii hybrida.

Identifiers

InChI=1S/C22H28O12/c1-8-4-3-5-10-14(8)11(6-13(23)32-10)33-20-9(2)31-22(19(28)17(20)26)30-7-12-15(24)16(25)18(27)21(29)34-12/h3-6,9,12,15-22,24-29H,7H2,1-2H3/t9-,12+,15+,16-,17-,18+,19+,20-,21+,22+/m0/s1

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PTMHNNQOVURLID-ZFKNBDJCSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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