(Q104938612)

English

3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2,3,4-trihydroxybutanoic acid

group of stereoisomers with the chemical formula C₁₄H₁₆O₉

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instance of

group of stereoisomers

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1 reference

328.079432092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₁₆O₉

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canonical SMILES

O=C(O)C(O)C(O)(CO)COC(=O)C=CC1=CC=C(O)C(O)=C1

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OCC(O)(CO)C(O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C14H16O9/c15-6-14(22,12(19)13(20)21)7-23-11(18)4-2-8-1-3-9(16)10(17)5-8/h1-5,12,15-17,19,22H,6-7H2,(H,20,21)/b4-2+

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InChIKey

BMVREUNZOSAHNV-DUXPYHPUSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BMVREUNZOSAHNV-DUXPYHPUSA-N

1 reference

(Q104938612)

3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2,3,4-trihydroxybutanoic acid

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