(Q104985305)

English

7-[(2S)-2,3-dihydroxy-3-methylbutoxy]-8-(3-methyl-2-oxobutyl)chromen-2-one

chemical compound

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Statements

type of chemical entity

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biogenic coumarin

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348.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄O₆

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canonical SMILES

O=C1OC2=C(C=C1)C=CC(OCC(O)C(O)(C)C)=C2CC(=O)C(C)C

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isomeric SMILES

CC(C)C(=O)Cc1c(OC[C@H](O)C(C)(C)O)ccc2ccc(=O)oc12

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Triphasia trifolia

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Coumarins from Triphasia trifoliata

Identifiers

InChI=1S/C19H24O6/c1-11(2)14(20)9-13-15(24-10-16(21)19(3,4)23)7-5-12-6-8-17(22)25-18(12)13/h5-8,11,16,21,23H,9-10H2,1-4H3/t16-/m0/s1

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DMSHDRKZHASQRO-INIZCTEOSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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