(Q105122052)

English

3-[(2E)-3-Methyl-7-methyl-2,6-octadien-1-yl]-4,5-dimethoxy-trans-cinnamic acid

chemical compound

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Statements

type of chemical entity

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2,6-dimethyloctane monoterpenoid

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biogenic alkylphenol

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344.198759376 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₄

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canonical SMILES

O=C(O)C=CC=1C=C(OC)C(OC)=C(C1)CC=C(C)CCC=C(C)C

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isomeric SMILES

COc1cc(/C=C/C(=O)O)cc(C/C=C(\C)CCC=C(C)C)c1OC

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based on heuristic

inferred from InChI

Lorandersonia pulchella

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Geranyl derivatives of p-coumaric acid from Chrysothamnus pulchellus

Identifiers

InChI=1S/C21H28O4/c1-15(2)7-6-8-16(3)9-11-18-13-17(10-12-20(22)23)14-19(24-4)21(18)25-5/h7,9-10,12-14H,6,8,11H2,1-5H3,(H,22,23)/b12-10+,16-9+

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IXDDIYJCTLFLLS-BVXVVYCSSA-N

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1 reference

26 December 2021

UniChem compound ID

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