(Q104997933)

English

[5-Acetyloxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₁H₃₈O₁₅

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

650.221070516 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₈O₁₅

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C=C2)C(OC(=O)C)C1OC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4

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Identifiers

InChI=1S/C31H38O15/c1-15-24(38)25(39)26(40)30(42-15)46-28-27(45-23(37)10-6-18-5-9-20(35)21(36)13-18)22(14-32)44-31(29(28)43-16(2)33)41-12-11-17-3-7-19(34)8-4-17/h3-10,13,15,22,24-32,34-36,38-40H,11-12,14H2,1-2H3

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FMNDIPCHUVLVJK-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

FMNDIPCHUVLVJK-UHFFFAOYSA-N

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