(Q105305383)

English

(2S,3R,4S,5S,6R)-2-[4-[(1S,2S)-1,3-dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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type of chemical entity

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1 reference

1 reference

2-[4-[1,3-Dihydroxy-2-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

538.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4S,5S,6R)-2-[4-[(1S,2R)-1,3-dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4S,5S,6R)-2-[4-[(1R,2S)-1,3-dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₄O₁₂

0 references

canonical SMILES

OCC=CC1=CC=C(OC(CO)C(O)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C2)C(OC)=C1

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isomeric SMILES

COc1cc(/C=C/CO)ccc1O[C@@H](CO)[C@@H](O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1

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found in taxon

Glehnia littoralis

1 reference

stated in

Constituents of the underground parts of Glehnia littoralis

Identifiers

InChI

InChI=1S/C26H34O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3+/t20-,21+,22-,23+,24-,25+,26+/m0/s1

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InChIKey

WHKMPWQXESJAPI-MHCHAHLESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105305383)

(2S,3R,4S,5S,6R)-2-[4-[(1S,2S)-1,3-dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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