(Q104968235)

English

(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]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-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

504.184291084 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₁₃

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canonical SMILES

OCC=CC1=CC=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)=C1

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isomeric SMILES

COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Stellera chamaejasme

1 reference

stated in

Phenylpropanoid glycosides from Stellera chamaejasme

Identifiers

InChI

InChI=1S/C22H32O13/c1-31-12-7-10(3-2-6-23)4-5-11(12)33-22-20(30)18(28)16(26)14(35-22)9-32-21-19(29)17(27)15(25)13(8-24)34-21/h2-5,7,13-30H,6,8-9H2,1H3/b3-2+/t13-,14+,15+,16+,17-,18-,19+,20+,21+,22-/m1/s1

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InChIKey

CQSPCPGNSAKNCP-JEDFXKEPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104968235)

(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

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Identifiers

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