LMPK12080050
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5879   10.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5879    9.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434    9.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990    9.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990   10.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434   11.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1544    9.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0101    9.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0101   10.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1544   11.4561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.4561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1544    8.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8656    9.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8656    8.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6589    8.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4524    8.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4524    9.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6589    9.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6589   10.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6589    7.1183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3078    8.0702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1738    8.5702    0.0000 C   0  0  0  0  0  0  0  0  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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0     0  0
M  END
> <LM_ID>
LMPK12080050

> <COMMON_NAME>
Bowdichione

> <SYSTEMATIC_NAME>
2-(7-Hydroxy-4-oxo-4H-1-benzopyran-3-yl)-5-methoxy-2,5-cyclohexadiene-1,4-dione

> <FORMULA>
C16H10O6

> <MASS>
298.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GCAIEHBYLQNGAF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H10O6/c1-21-15-6-12(18)10(5-13(15)19)11-7-22-14-4-8(17)2-3-9(14)16(11)20/h2-7,17H,1H3

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

> <KEGG_ID>
C10202

> <HMDB_ID>
-

> <CHEBI_ID>
3162

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281705

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 595543

> <CITATION>
-

$$$$