LMPK12070009
  LIPID_MAPS_STRUCTURE_DATABASE

 22 26  0  0  0  0  0  0  0  0999 V2000
    6.1885    7.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1885    6.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8574    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5263    6.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5263    7.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8574    7.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1952    6.2386    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8641    6.6246    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8641    7.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1952    7.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327    6.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327    5.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2479    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9630    5.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9630    6.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2479    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1952    5.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4540    7.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4540    6.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6320    5.0267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6734    5.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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  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  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  2  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070009

> <COMMON_NAME>
9-O-Methylneodunol

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H14O4

> <MASS>
294.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ULQNMSRMOWJVNK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O4/c1-19-11-2-3-12-14-9-21-16-8-15-10(4-5-20-15)6-13(16)18(14)22-17(12)7-11/h2-8,14,18H,9H2,1H3

> <SMILES>
C12OC=CC1=CC1C3OC4C=C(OC)C=CC=4C3COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5260112

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$