LMPK12050467
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    6.8852   10.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8852    9.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7097    8.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5343    9.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5343   10.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7097   10.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3589    8.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1835    9.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1835   10.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3589   10.6820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0080    8.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0080    7.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8897    7.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7713    7.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7713    8.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8897    9.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3589    7.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.6820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8897    6.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1835    7.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1835    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5959    7.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8797    8.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 22  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050467

> <COMMON_NAME>
Violanone

> <SYSTEMATIC_NAME>
7,3'-Dihydroxy-2',4'-dimethoxyisoflavanone

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ILOKNKKFXJKHMB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-21-13-6-5-10(17(22-2)16(13)20)12-8-23-14-7-9(18)3-4-11(14)15(12)19/h3-7,12,18,20H,8H2,1-2H3

> <SMILES>
C1(O)=CC2OCC(C3=CC=C(OC)C(O)=C3OC)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
175064

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24772948

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1030150

> <CITATION>
-

$$$$