Marvin  07040811152D          

 25 27  0  0  1  0            999 V2000
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 11  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3 20  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  6  0  0  0
  7  9  2  0  0  0  0
 20  9  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:50207

> <NAME>
sophoraflavanone B

> <DEFINITION>
A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8.

> <STAR>
3

> <SYNONYM>
sophoraflavanone B; Flavaprenin; 8-prenylnaringenin; 8-Prenylnaringenin; (S)-8-dimethylallylnaringenin; (-)-(2S)-8-dimethylallylnaringenin; (-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one

> <IUPAC_NAME>
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one

> <FORMULA>
C20H20O5

> <MASS>
340.36980

> <MONOISOTOPIC_MASS>
340.13107

> <CHARGE>
0

> <SMILES>
CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1

> <INCHI>
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1

> <INCHIKEY>
LPEPZZAVFJPLNZ-SFHVURJKSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5611472

> <REAXYS_REGISTRY_NUMBER>
5611472

> <KEGG_COMPOUND_ACCESSION>
C18023

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12140279

> <METACYC_ACCESSION>
CPD-9440

> <WIKIPEDIA_ACCESSION>
Sophoraflavanone_B

> <PUBMED_CITATION>
22766195; 22933043

$$$$