LMPK12140102
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.8478    6.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5613    6.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747    6.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747    7.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5613    7.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8478    7.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9882    6.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7016    6.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7016    7.3055    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9882    7.7175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4144    7.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9882    5.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1464    7.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8782    7.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8782    8.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1464    8.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4144    8.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5613    5.2468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350    6.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4223    6.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7112    6.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7112    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6089    8.9841    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
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140102

> <COMMON_NAME>
Crotaramosmin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O4

> <MASS>
324.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DTZBWBKUXVNGMX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O4/c1-12(2)3-4-14-7-10-17-19(20(14)23)16(22)11-18(24-17)13-5-8-15(21)9-6-13/h3,5-10,18,21,23H,4,11H2,1-2H3

> <SMILES>
C1(C/C=C(\C)/C)C=CC2OC(C3C=CC(O)=CC=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607840

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$