LMPK12050340
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    8.6829   10.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6829    9.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5142    9.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3455    9.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3455   10.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5142   10.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1765    9.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0078    9.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0078   10.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1766   10.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8392    9.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8392    8.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7278    7.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6164    8.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6164    9.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7278    9.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1765    8.1011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8520   10.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205   10.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    9.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8518    9.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406   11.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4477    7.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4477    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5142    8.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5817    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 14 24  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050340

> <COMMON_NAME>
Alpinumisoflavone dimethyl ether

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

> <FORMULA>
C22H20O5

> <MASS>
364.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Di-O-methylalpinumisoflavone

> <INCHI_KEY>
WRINUBCCCQLTPU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O5/c1-22(2)10-9-15-17(27-22)11-18-19(21(15)25-4)20(23)16(12-26-18)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C1C(=O)C(C3C=CC(OC)=CC=3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187104

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10384155

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$