(Q105032282)

English

2-((3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-1,3-propanediyl docosanoate

chemical compound

In more languages

Statements

type of chemical entity

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alkyl caffeate ester

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912.74182016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₇H₁₀₀O₈

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canonical SMILES

O=C(OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)C=CC1=CC=C(O)C(OC)=C1

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isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)/C=C/c1ccc(O)c(OC)c1

1 reference

based on heuristic

inferred from InChI

Aquilaria malaccensis

1 reference

Plant Anticancer Agents. XIX. Constituents of Aquilaria malaccensis

Identifiers

InChI=1S/C57H100O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-55(59)63-49-52(65-57(61)47-45-51-44-46-53(58)54(48-51)62-3)50-64-56(60)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h44-48,52,58H,4-43,49-50H2,1-3H3/b47-45+

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HQKOKDBCUSEPCE-LIIAXHHNSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

1 reference

matched by identifier from

HQKOKDBCUSEPCE-LIIAXHHNSA-N

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