(Q104969999)

English

7-{[(2E)-5-{2-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpent-2-en-1-yl]oxy}chromen-2-one

group of stereoisomers with the chemical formula C₂₄H₃₀O₅

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Statements

group of stereoisomers

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biogenic coumarin

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biogenic coumarin

398.20932406 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₅

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canonical SMILES

O=C1OC=2C=C(OCC=C(C)CCC3C4(OCC3(C)C(O)CC4)C)C=CC2C=C1

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isomeric SMILES

C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC1C2(C)CCC(O)C1(C)CO2

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C24H30O5/c1-16(4-8-20-23(2)15-28-24(20,3)12-10-21(23)25)11-13-27-18-7-5-17-6-9-22(26)29-19(17)14-18/h5-7,9,11,14,20-21,25H,4,8,10,12-13,15H2,1-3H3/b16-11+

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CTQYKKGZEKTFJL-LFIBNONCSA-N

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