(Q104401593)

English

4-[(3S,3aR,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol

group of stereoisomers with the chemical formula C₂₁H₂₄O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

388.152203108 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₇

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canonical SMILES

OC1=CC=C(C=C1OC)C2OCC3C(OCC23)C4=CC(OC)=C(O)C(OC)=C4

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isomeric SMILES

COc1cc([C@H]2OC[C@@H]3C(c4cc(OC)c(O)c(OC)c4)OC[C@H]23)ccc1O

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found in taxon

Actinidia chinensis

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

asparagus

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

Avena sativa

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

Cucumis sativus

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

Fagopyrum esculentum

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

strawberries

1 reference

stated in

Content, composition, and stereochemical characterisation of lignans in berries and seeds

Hordeum vulgare

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

Raphanus sativus var. sativus

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

Ribes nigrum

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stated in

Content, composition, and stereochemical characterisation of lignans in berries and seeds

Rubus chamaemorus

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stated in

Content, composition, and stereochemical characterisation of lignans in berries and seeds

Secale cereale

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

Solanum melongena

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

Triticum aestivum

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

Vaccinium myrtillus

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stated in

Content, composition, and stereochemical characterisation of lignans in berries and seeds

Vaccinium vitis-idaea

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stated in

Content, composition, and stereochemical characterisation of lignans in berries and seeds

Piper cubeba

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stated in

Potent CYP3A4 inhibitory constituents of Piper cubeba

tomato

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stated in

Quantification of lignans in food using isotope dilution gas chromatography/mass spectrometry

Identifiers

InChI

InChI=1S/C21H24O7/c1-24-16-6-11(4-5-15(16)22)20-13-9-28-21(14(13)10-27-20)12-7-17(25-2)19(23)18(8-12)26-3/h4-8,13-14,20-23H,9-10H2,1-3H3/t13-,14-,20+,21?/m0/s1

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InChIKey

VJOBNGRIBLNUKN-ITZZLVQVSA-N

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1 reference

26 December 2021

1 reference

(Q104401593)

4-[(3S,3aR,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol

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Identifiers

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