(Q105111679)

English

methyl (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,6-dimethyloctane monoterpenoid

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alkyl caffeate ester

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mass

344.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₄

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canonical SMILES

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

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isomeric SMILES

COC(=O)/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c1

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found in taxon

Sarcomelicope simplicifolia

1 reference

stated in

Some neutral constituents of Acronychia baueri

Identifiers

InChI

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

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InChIKey

IEBPFQGGGXTMLS-QIYIKKHUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IEBPFQGGGXTMLS-QIYIKKHUSA-N

1 reference

(Q105111679)

methyl (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-enoate

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Identifiers

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