Mrv0541 03161508372D          

 25 27  0  0  0  0            999 V2000
   -0.6597   -0.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6631   -1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0584    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0515   -1.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709   -1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855   -0.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7731   -0.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -1.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481   -2.3398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855   -1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709   -2.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6597    1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4808   -1.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6597    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0515    2.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    2.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9238    0.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2091    1.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9238    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7 12  1  0  0  0  0
  9 10  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:5380

> <NAME>
glepidotin A

> <DEFINITION>
A trihydroxyflavone that is  galangin substituted by a prenyl  group at position 8.

> <STAR>
3

> <SYNONYM>
8-Prenylgalangin; 8-(3,3-DMA)galangin; 8-(3,3-Dimethylallyl)galangin

> <IUPAC_NAME>
3,5,7-trihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-4H-1-benzopyran-4-one

> <FORMULA>
C20H18O5

> <MASS>
338.35390

> <MONOISOTOPIC_MASS>
338.11542

> <CHARGE>
0

> <SMILES>
CC(C)=CCc1c(O)cc(O)c2c1oc(-c1ccccc1)c(O)c2=O

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

> <INCHIKEY>
WCSHKPNHOSDFGK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
42193-83-9

> <REAXYS_REGISTRY_NUMBER>
5451189

> <KEGG_COMPOUND_ACCESSION>
C10049

> <KNAPSACK_ACCESSION>
C00001045

> <PUBMED_CITATION>
11524125

$$$$