(Q104166389)

English

[2-[2,4-Dihydroxy-6-(hydroxymethyl)phenyl]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] 7-hydroxyhexadeca-2,4,8,10-tetraenoate

group of stereoisomers with the chemical formula C₄₁H₆₀O₂₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

872.36779432 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₀O₂₀

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canonical SMILES

O=C(OC1C(O)C(OC(CO)C1OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)C=4C(O)=CC(O)=CC4CO)C=CC=CCC(O)C=CC=CCCCCC

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Identifiers

InChI

InChI=1S/C41H60O20/c1-2-3-4-5-6-7-9-12-22(46)13-10-8-11-14-28(49)59-38-35(55)37(29-21(17-42)15-23(47)16-24(29)48)56-27(20-45)36(38)60-41-39(33(53)31(51)26(19-44)58-41)61-40-34(54)32(52)30(50)25(18-43)57-40/h6-12,14-16,22,25-27,30-48,50-55H,2-5,13,17-20H2,1H3

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InChIKey

DEPSCDXHCFJSQZ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DEPSCDXHCFJSQZ-UHFFFAOYSA-N

(Q104166389)

[2-[2,4-Dihydroxy-6-(hydroxymethyl)phenyl]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] 7-hydroxyhexadeca-2,4,8,10-tetraenoate

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