LMPK12120006
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.6027    7.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6027    6.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3177    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0326    6.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0326    7.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3177    7.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7475    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4624    6.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1771    5.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8918    6.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6127    5.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3337    6.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3337    7.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6127    7.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8918    7.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7475    5.2606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3177    5.0794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8175    7.3983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3324    6.7304    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8175    6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5071    6.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0945    6.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0945    7.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.7304    0.0000 O   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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
 17  3  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120006

> <COMMON_NAME>
Flemistrictin B

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O4

> <MASS>
324.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VQIOSZCXCDBKPH-CSKARUKUSA-N

> <INCHI>
InChI=1S/C20H20O4/c1-20(2,23)18-12-15-17(24-18)11-9-14(19(15)22)16(21)10-8-13-6-4-3-5-7-13/h3-11,18,22-23H,12H2,1-2H3/b10-8+

> <SMILES>
C12OC(C(O)(C)C)CC1=C(O)C(C(=O)/C=C/C1C=CC=CC=1)=CC=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607516

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$