(Q110193760)

English

1-[2,6-dihydroxy-3-[(2S,4S)-5-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]phenyl]butan-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

342.146723804 dalton

1 reference

1 reference

1-[2,6-dihydroxy-3-[(2S,4R)-5-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]phenyl]butan-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₅

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canonical SMILES

O=C(C=1C(O)=CC=C(C1O)C2C=3C(O)=CC=CC3OC(C)C2)CCC

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isomeric SMILES

CCCC(=O)c1c(O)ccc([C@@H]2C[C@H](C)Oc3cccc(O)c32)c1O

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Identifiers

InChI

InChI=1S/C20H22O5/c1-3-5-14(21)19-16(23)9-8-12(20(19)24)13-10-11(2)25-17-7-4-6-15(22)18(13)17/h4,6-9,11,13,22-24H,3,5,10H2,1-2H3/t11-,13-/m0/s1

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InChIKey

IJAFYCQHLNAYDS-AAEUAGOBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IJAFYCQHLNAYDS-AAEUAGOBSA-N

(Q110193760)

1-[2,6-dihydroxy-3-[(2S,4S)-5-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]phenyl]butan-1-one

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