Marvin  01221312202D          

 26 28  0  0  0  0            999 V2000
    7.7402    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7391    1.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4539    0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4521    2.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1675    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1663    1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8832    0.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6058    1.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6070    2.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8856    2.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8808    0.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3191    0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3116    0.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0240   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7406    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7403    0.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0273    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4545    1.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4545   -0.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1696    0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0213   -1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3055   -1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3027   -2.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5869   -2.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0158   -2.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0257    2.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
 12 13  2  0  0  0  0
  3  6  2  0  0  0  0
 13 14  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  2  0  0  0  0
  5  4  2  0  0  0  0
 15 16  1  0  0  0  0
  4  1  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  5 10  1  0  0  0  0
 16 18  1  0  0  0  0
  6  7  1  0  0  0  0
 15 19  1  0  0  0  0
  7  8  1  0  0  0  0
 19 20  1  0  0  0  0
  8  9  2  0  0  0  0
 14 21  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  1  0  0  0  0
  5  6  1  0  0  0  0
 22 23  2  0  0  0  0
  7 11  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 12  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
> <ID>
CHEBI:65863

> <NAME>
erylatissin A

> <DEFINITION>
A member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 7 and 3' positions, a methoxy group at the 4' position and a prenyl group at position 5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities.

> <STAR>
3

> <SYNONYM>
7,3'-dihydroxy-4'-methoxy-5'-(gamma,gamma-dimethylallyl)isoflavone

> <IUPAC_NAME>
7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one

> <FORMULA>
C21H20O5

> <MASS>
352.38050

> <MONOISOTOPIC_MASS>
352.13107

> <CHARGE>
0

> <SMILES>
COc1c(O)cc(cc1CC=C(C)C)-c1coc2cc(O)ccc2c1=O

> <INCHI>
InChI=1S/C21H20O5/c1-12(2)4-5-13-8-14(9-18(23)21(13)25-3)17-11-26-19-10-15(22)6-7-16(19)20(17)24/h4,6-11,22-23H,5H2,1-3H3

> <INCHIKEY>
CEXYMYPXHMUTTJ-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
10587410

> <PUBMED_CITATION>
15649516

$$$$