Mrv0541 01161409222D          

 25 27  0  0  0  0            999 V2000
   -0.5958   -5.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333   -5.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -6.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1667   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -6.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7417   -4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -6.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -5.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958   -7.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1667   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  2  0  0  0  0
 15 13  2  0  0  0  0
 16  4  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19  9  1  0  0  0  0
 20 22  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 20  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
  3  7  2  0  0  0  0
  9  6  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <ID>
CHEBI:10038

> <NAME>
wighteone

> <DEFINITION>
A member of the class of  7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 6. It has been isolated from Ficus mucuso.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:69747

> <SYNONYM>
erythrinin B; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 5,7,4'-trihydroxy-6-prenylisoflavone

> <IUPAC_NAME>
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

> <FORMULA>
C20H18O5

> <MASS>
338.35390

> <MONOISOTOPIC_MASS>
338.11542

> <CHARGE>
0

> <SMILES>
CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O

> <INCHI>
InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3

> <INCHIKEY>
KIMDVVKVNNSHGZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
51225-30-0

> <REAXYS_REGISTRY_NUMBER>
1265128

> <CHEMIDPLUS>
51225-30-0

> <KEGG_COMPOUND_ACCESSION>
C10542

> <KNAPSACK_ACCESSION>
C00002586

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12050188

> <WIKIPEDIA_ACCESSION>
Wighteone

> <PUBMED_CITATION>
12150799; 16369693; 22837700; 23850732; 21619045

$$$$