(Q105311756)

English

(2E)-3-{3-[(2Z)-3-[(acetyloxy)methyl]-7-methylocta-2,6-dien-1-yl]-4-methoxyphenyl}prop-2-enoic acid

chemical compound

In more languages

Statements

type of chemical entity

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2,6-dimethyloctane monoterpenoid

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biogenic alkylphenol

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372.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₅

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canonical SMILES

O=C(O)C=CC1=CC=C(OC)C(=C1)CC=C(COC(=O)C)CCC=C(C)C

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isomeric SMILES

COc1ccc(/C=C/C(=O)O)cc1C/C=C(/CCC=C(C)C)COC(C)=O

1 reference

based on heuristic

inferred from InChI

Lorandersonia pulchella

1 reference

Geranyl derivatives of p-coumaric acid from Chrysothamnus pulchellus

Identifiers

InChI=1S/C22H28O5/c1-16(2)6-5-7-19(15-27-17(3)23)8-11-20-14-18(10-13-22(24)25)9-12-21(20)26-4/h6,8-10,12-14H,5,7,11,15H2,1-4H3,(H,24,25)/b13-10+,19-8-

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WSBFBHTWXLODOA-PCCBWSBYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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