(Q105217098)

English

(2S,3R,4S,5S,6R)-2-[(6,7-dimethyl-1-benzofuran-5-yl)oxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[(6,7-Dimethyl-1-benzofuran-5-yl)oxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

456.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₁₁

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canonical SMILES

OC1COC(OCC2OC(OC3=CC=4C=COC4C(=C3C)C)C(O)C(O)C2O)C(O)C1O

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isomeric SMILES

Cc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2ccoc2c1C

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found in taxon

Breynia rostrata

1 reference

stated in

Glycosides from Breynia fruticosa and Breynia rostrata

Identifiers

InChI

InChI=1S/C21H28O11/c1-8-9(2)19-10(3-4-28-19)5-12(8)31-21-18(27)16(25)15(24)13(32-21)7-30-20-17(26)14(23)11(22)6-29-20/h3-5,11,13-18,20-27H,6-7H2,1-2H3/t11-,13-,14+,15-,16+,17-,18-,20+,21-/m1/s1

0 references

InChIKey

PZSAPPYTRPNNTO-LVYRWAKOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PZSAPPYTRPNNTO-LVYRWAKOSA-N

(Q105217098)

(2S,3R,4S,5S,6R)-2-[(6,7-dimethyl-1-benzofuran-5-yl)oxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Statements

Identifiers

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