(Q105253485)

English

3-[(2E)-3-(Hydroxymethyl)-7-methyl-2,6-octadien-1-yl]-4-methoxy-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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330.183109312 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₄

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canonical SMILES

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

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isomeric SMILES

COc1ccc(/C=C/C(=O)O)cc1C/C=C(\CO)CCC=C(C)C

1 reference

based on heuristic

inferred from InChI

Lorandersonia pulchella

1 reference

Geranyl derivatives of p-coumaric acid from Chrysothamnus pulchellus

Identifiers

InChI=1S/C20H26O4/c1-15(2)5-4-6-17(14-21)7-10-18-13-16(9-12-20(22)23)8-11-19(18)24-3/h5,7-9,11-13,21H,4,6,10,14H2,1-3H3,(H,22,23)/b12-9+,17-7-

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SIABBCBJPCFCLL-SFORLKPPSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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