LMPK12050075
  LIPID_MAPS_STRUCTURE_DATABASE

 28 32  0     0  0            999 V2000
    7.8714   10.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8714    9.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7117    8.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522    9.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522   10.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7117   10.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926    8.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2331    9.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2331   10.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926   10.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0734    8.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0734    7.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9720    7.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8705    7.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8705    8.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9720    9.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926    7.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7117   11.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8714   12.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0310   11.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0310   10.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5458   12.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8573    7.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4671    8.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8573    9.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2331    7.3068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2331    6.0606    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
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050075

> <COMMON_NAME>
Jamaicin

> <SYSTEMATIC_NAME>
3-(6-Methoxy-1,3-benzodioxol-5-yl)-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>
WITLAWYGGVAFLU-UHFFFAOYSA-N

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

> <SMILES>
C12OC(C)(C)C=CC=1C1OC=C(C3C=C4OCOC4=CC=3OC)C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12304682

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62113

> <CITATION>
-

$$$$