LMPK12140694
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.6384    8.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6384    7.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    7.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3945    7.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3945    8.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    9.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2725    7.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1505    7.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1505    8.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2725    9.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282    9.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9231    8.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8179    9.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8179   10.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9231   10.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282   10.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2725    6.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9231    8.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9231   11.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165   10.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7607    7.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0745    9.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   10.9515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5905   10.4445    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  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  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 12 19  2  0  0  0  0
 15 20  2  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 14 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140694

> <COMMON_NAME>
Scaberin

> <SYSTEMATIC_NAME>
(-)-2-(3,4-Dihydro-5-hydroxy-7-methoxy-6,8-dimethyl-4-oxo-2H-1-benzopyran-2-yl) -5-methoxy-2,5-cyclohexadiene-1,4-dione

> <FORMULA>
C19H18O7

> <MASS>
358.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LPKKAPFKDKLNMV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O7/c1-8-17(23)16-13(22)7-14(26-19(16)9(2)18(8)25-4)10-5-12(21)15(24-3)6-11(10)20/h5-6,14,23H,7H2,1-4H3

> <SMILES>
C1(OC)=C(C)C2OC(C3=CC(=O)C(OC)=CC3=O)CC(=O)C=2C(O)=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608130

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4610

> <CITATION>
-

$$$$