(Q105144489)

English

[4,5-Dihydroxy-2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₂₈H₃₂O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

592.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₂O₁₄

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1OC(=O)C=CC2=CC(OC)=C(O)C(OC)=C2)C=CC3=CC(OC)=C(O)C(OC)=C3

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found in taxon

Arabidopsis thaliana

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stated in

Arabidopsis thaliana extracts optimized for polyphenols production as potential therapeutics for the APOE-modulated neuroinflammation characteristic of Alzheimer's disease in vitro

Brassica oleracea

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stated in

Metabolic and bioactivity insights into Brassica oleracea var. acephala.

Identifiers

InChI

InChI=1S/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3

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InChIKey

KQDOTXAUJBODDM-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KQDOTXAUJBODDM-UHFFFAOYSA-N

1 reference

MassBank accession ID

MSBNK-RIKEN-PR309005

1 reference

InChIKey

KQDOTXAUJBODDM-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

(Q105144489)

[4,5-Dihydroxy-2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Statements

Identifiers

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