LMPK12050111
  LIPID_MAPS_STRUCTURE_DATABASE

 28 32  0     0  0            999 V2000
    7.8714   10.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8714    9.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7118    8.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5521    9.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5521   10.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7118   10.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3925    8.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2328    9.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2328   10.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3925   10.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0733    8.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0733    7.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9719    7.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8704    7.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8704    8.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9719    9.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3925    7.7698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7118   11.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8714   12.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0310   11.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0310   10.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5458   12.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1876    6.1691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2194    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6414    7.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0309    8.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0309    7.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  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  2  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  2  0  0  0  0
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 14  1  0  0  0  0
  2 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050111

> <COMMON_NAME>
Durmillone

> <SYSTEMATIC_NAME>
3-(1,3-Benzodioxol-5-yl)-6-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <FORMULA>
C22H18O6

> <MASS>
378.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SQBVRNCDBATODN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H18O6/c1-22(2)7-6-13-20-14(9-18(24-3)21(13)28-22)19(23)15(10-25-20)12-4-5-16-17(8-12)27-11-26-16/h4-10H,11H2,1-3H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC=C(C3C=CC4OCOC=4C=3)C(=O)C=1C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12309400

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62119

> <CITATION>
-

$$$$