(Q105020921)

English

7-{[(2E,6Z,10E)-1,12-dihydroxy-2,8,10-trimethyldodeca-2,6,10-trien-6-yl]oxy}-6-methoxychromen-2-one

group of stereoisomers with the chemical formula C₂₅H₃₂O₆

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Statements

group of stereoisomers

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biogenic coumarin

1 reference

biogenic coumarin

428.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₆

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canonical SMILES

O=C1OC=2C=C(OC(=CC(C)CC(=CCO)C)CCC=C(C)CO)C(OC)=CC2C=C1

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isomeric SMILES

COc1cc2ccc(=O)oc2cc1O/C(=C\C(C)C/C(C)=C/CO)CC/C=C(\C)CO

1 reference

based on heuristic

inferred from InChI

Brocchia cinerea

1 reference

Sesquiterpene-coumarin ethers and polyacetylenes from Bfrocchia cinerea

Identifiers

InChI=1S/C25H32O6/c1-17(10-11-26)12-19(3)13-21(7-5-6-18(2)16-27)30-24-15-22-20(14-23(24)29-4)8-9-25(28)31-22/h6,8-10,13-15,19,26-27H,5,7,11-12,16H2,1-4H3/b17-10+,18-6+,21-13-

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GVAPRTKZSHCWQJ-QURRIQAYSA-N

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