LMPK12140203
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2768    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780    6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0048    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7272    6.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7270    7.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024    8.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4541    6.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1764    6.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1751    7.7432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4516    8.1596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9019    8.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6254    7.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3499    8.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3498    8.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6252    9.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9007    8.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497    5.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0006    5.6494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024    8.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6072    6.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3046    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5064    9.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  9 11  1  6  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
  2 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
> <LM_ID>
LMPK12140203

> <COMMON_NAME>
Desmosflavanone II

> <SYSTEMATIC_NAME>
7-Hydroxy-5-methoxy-6-methyl-8-formylflavanone

> <FORMULA>
C18H16O5

> <MASS>
312.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LSODPLCBFFZIHL-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C18H16O5/c1-10-16(21)12(9-19)18-15(17(10)22-2)13(20)8-14(23-18)11-6-4-3-5-7-11/h3-7,9,14,21H,8H2,1-2H3/t14-/m0/s1

> <SMILES>
C1(O)C(C=O)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186990

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
503268

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$