LMPK12050087
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
    7.5672   10.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5672    9.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4019    9.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2366    9.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2366   10.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4019   11.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0712    9.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    9.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059   10.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0712   11.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7407    9.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7407    8.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6332    7.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5255    8.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5255    9.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6332    9.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0712    8.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5057    7.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1113    8.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5057    9.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    7.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    6.3606    0.0000 C   0  0  0  0  0  0  0  0  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  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050087

> <COMMON_NAME>
Cuneatin

> <SYSTEMATIC_NAME>
7-Hydroxy-3-(6-methoxy-1,3-benzodioxole-5-yl)-4H-1-benzopyran-4-one

> <FORMULA>
C17H12O6

> <MASS>
312.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Maximaisoflavone G

> <INCHI_KEY>
BHIIMRBCELSOFD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O6/c1-20-13-6-16-15(22-8-23-16)5-11(13)12-7-21-14-4-9(18)2-3-10(14)17(12)19/h2-7,18H,8H2,1H3

> <SMILES>
C1(O)=CC2OC=C(C3C=C4OCOC4=CC=3OC)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5385091

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 92720

> <CITATION>
-

$$$$