(Q105146246)

English

(2S)-7-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromene-6-carboxylic acid

chemical compound

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Statements

type of chemical entity

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2,6-dimethyloctane monoterpenoid

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dihydrostilbenoid

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392.198759376 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₄

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canonical SMILES

O=C(O)C1=C(O)C=C2OC(C=CC2=C1CCC=3C=CC=CC3)(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c(C(=O)O)c2CCc2ccccc2)O1

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1 reference

Prenyl bibenzyls from the liverwort Radula kojana

Identifiers

InChI=1S/C25H28O4/c1-17(2)8-7-14-25(3)15-13-19-20(12-11-18-9-5-4-6-10-18)23(24(27)28)21(26)16-22(19)29-25/h4-6,8-10,13,15-16,26H,7,11-12,14H2,1-3H3,(H,27,28)/t25-/m0/s1

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KUMVKKMSPZFSOG-VWLOTQADSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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