(Q105330776)

English

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

chemical compound

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instance of

type of chemical entity

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1 reference

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

1 reference

based on heuristic

inferred from SMILES

2-(4-{1,3-dihydroxy-2-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

568.215591212 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5-hydroxy-3,7,4’-trimethoxyflavone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₆O₁₃

0 references

canonical SMILES

OCC=CC1=CC(OC)=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@@H](O)[C@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Eucommia ulmoides

1 reference

stated in

The constituents of Eucommia ulmoides Oliv. VI. Isolation of a new sesquilignan and neolignan glycosides.

Ligularia veitchiana

1 reference

stated in

A New Triterpenoid Saponin and Two Neolignans from Ligularia veitchiana

Identifiers

InChI

InChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4+/t20-,21+,22+,23+,24-,25+,27+/m0/s1

0 references

InChIKey

XMGKCJUCYBLMBY-FQECZAFFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMGKCJUCYBLMBY-FQECZAFFSA-N

(Q105330776)

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

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