methyl xylariate (Q57899491)

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linear polyketide

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Language	Label	Description	Also known as
English	methyl xylariate	linear polyketide

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

Methyl xylariate.png
438 × 218; 11 KB

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mass

196.109944372 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁H₁₆O₃

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based on heuristic

inferred from SMILES

canonical SMILES

CCC/C=C(/C=C\C(=O)OC)C(C)=O

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

CCC/C=C(/C=C\C(=O)OC)C(C)=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C11H16O3/c1-4-5-6-10(9(2)12)7-8-11(13)14-3/h6-8H,4-5H2,1-3H3/b8-7-,10-6-

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InChIKey

PEWZIEQJXSUCMC-OYIUBJQVSA-N

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based on heuristic

inferred from InChI

CAS Registry Number

1235861-25-2

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