(Q105121123)

English

(15E,17E)-18-hydroxyoctadeca-10,15,17-trien-12-yn-1-yl acetate

chemical compound

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Statements

type of chemical entity

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biogenic acyclic ester

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318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

O=C(OCCCCCCCCCC=CC#CCC=CC=CO)C

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isomeric SMILES

CC(=O)OCCCCCCCCCC=CC#CC/C=C/C=C/O

1 reference

based on heuristic

inferred from InChI

Bupleurum longiradiatum

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Polyacetylenes from Bupleurum longiradiatum

Identifiers

InChI=1S/C20H30O3/c1-20(22)23-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21/h2,4,12,14,16,18,21H,3,5,7,9-11,13,15,17,19H2,1H3/b4-2?,14-12+,18-16+

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IVLWOEUKUICFOI-XTVKFWGBSA-N

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