(Q105147098)

English

(9E,13E,15E)-12-oxooctadeca-9,13,15-trienoic acid

chemical compound

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Statements

type of chemical entity

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biogenic acyclic ketone

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292.203844756 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₈O₃

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canonical SMILES

O=C(O)CCCCCCCC=CCC(=O)C=CC=CCC

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isomeric SMILES

CC/C=C/C=C/C(=O)C/C=C/CCCCCCCC(=O)O

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based on heuristic

inferred from InChI

Galeopsis bifida

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New oxo acids of the seed oil ofGaleopsis bifida

Identifiers

InChI=1S/C18H28O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,11-12,14H,2,5-8,10,13,15-16H2,1H3,(H,20,21)/b4-3+,12-9+,14-11+

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KWTFJBXQTYIPIU-RIWOAMMVSA-N

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