(Q104398978)

English

[2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₆H₄₈O₁₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

768.284064696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₈O₁₈

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(OC)C(O)=C2)CC1OC3OC(C)C(O)C(O)C3O)COC4OCC(O)(CO)C4O)C=CC5=CC=C(O)C(OC)=C5

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found in taxon

Phlomis kotschyana

1 reference

stated in

Secondary metabolites from marine organisms

Verbascum thapsus

1 reference

stated in

Phenylethanoid and lignan glycosides from Verbascum thapsus

Marrubium alysson

1 reference

stated in

Phenylpropanoid glycosides from Marrubium alysson

Buddleja davidii

1 reference

stated in

Phenylethanoid and lignan-iridoid complex glycosides from roots of Buddleja davidii

Phlomis bourgaei

1 reference

stated in

Iridoid and phenylethanoid glycosides from Phlomis tuberosa L.

Phlomis lycia

1 reference

stated in

Phenolic constituents from Oplopanax horridus

Schnabelia tetradonta

1 reference

stated in

Chemical Constituents from the Roots of Schnabelia tetradonta.

Stachys officinalis

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stated in

Phenylethanoid glycosides from Stachys officinalis

Identifiers

InChI

InChI=1S/C36H48O18/c1-18-29(41)30(42)31(43)34(51-18)53-25-14-28(48-11-10-20-5-8-23(46-2)22(39)12-20)52-26(15-49-35-33(44)36(45,16-37)17-50-35)32(25)54-27(40)9-6-19-4-7-21(38)24(13-19)47-3/h4-9,12-13,18,25-26,28-35,37-39,41-45H,10-11,14-17H2,1-3H3

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InChIKey

TYKWSXKLDHLLAB-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

TYKWSXKLDHLLAB-UHFFFAOYSA-N

1 reference

(Q104398978)

[2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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