(Q105015632)

English

2,4-dihydroxy-3-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]-6-[(1E)-2-phenylethenyl]benzoic 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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408.193673996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₅

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canonical SMILES

O=C(O)C=1C(C=CC=2C=CC=CC2)=CC(O)=C(C1O)CC=C(C)CC=CC(O)(C)C

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isomeric SMILES

C/C(=C\Cc1c(O)cc(/C=C/c2ccccc2)c(C(=O)O)c1O)C/C=C/C(C)(C)O

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based on heuristic

inferred from InChI

Helichrysum umbraculigerum

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Cannabigerol-ähnliche verbindungen aus Helichrysum umbraculigerum

Identifiers

InChI=1S/C25H28O5/c1-17(8-7-15-25(2,3)30)11-14-20-21(26)16-19(22(23(20)27)24(28)29)13-12-18-9-5-4-6-10-18/h4-7,9-13,15-16,26-27,30H,8,14H2,1-3H3,(H,28,29)/b13-12+,15-7+,17-11+

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GQZRMSLCMZMVGT-AKTRQUIKSA-N

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