Ketcher 02061813482D 1   1.00000     0.00000     0

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    9.5295   -4.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0     0  0
  2 14  1  0     0  0
  4  7  1  0     0  0
 14 15  1  0     0  0
  3  4  2  0     0  0
 15 16  2  0     0  0
  7  8  2  0     0  0
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 16 18  1  0     0  0
  7  9  1  0     0  0
  3 19  1  0     0  0
  4  5  1  0     0  0
  1 20  1  0     0  0
  9 10  2  0     0  0
 11 21  2  0     0  0
  2  3  1  0     0  0
 21 22  1  0     0  0
 10 11  1  0     0  0
 22 23  2  0     0  0
  5  6  2  0     0  0
 23 24  1  0     0  0
  5 12  1  0     0  0
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  6  1  1  0     0  0
 23 26  1  0     0  0
 26 27  1  0     0  0
M  END
> <ID>
CHEBI:139593

> <NAME>
4-O-methylxanthohumol

> <DEFINITION>
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' and 4', methoxy group at positions 4 and 6' and a prenyl group at position 3'.

> <STAR>
3

> <SYNONYM>
4-O-methylxanthohumol

> <IUPAC_NAME>
(2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one

> <FORMULA>
C22H24O5

> <MASS>
368.424

> <MONOISOTOPIC_MASS>
368.16237

> <CHARGE>
0

> <SMILES>
C1(=C(CC=C(C)C)C(=C(C(=O)/C=C/C2=CC=C(C=C2)OC)C(=C1)OC)O)O

> <INCHI>
InChI=1S/C22H24O5/c1-14(2)5-11-17-19(24)13-20(27-4)21(22(17)25)18(23)12-8-15-6-9-16(26-3)10-7-15/h5-10,12-13,24-25H,11H2,1-4H3/b12-8+

> <INCHIKEY>
HOOCUUOYPZNVKX-XYOKQWHBSA-N

> <REAXYS_REGISTRY_NUMBER>
10479895

> <PUBMED_CITATION>
18223037

$$$$