LMPK12060036
  LIPID_MAPS_STRUCTURE_DATABASE

 28 32  0     0  0            999 V2000
    7.5497   10.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5497    9.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3877    9.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    9.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257   10.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3877   10.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0637    9.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9016    9.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9016   10.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0637   10.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7394    9.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7394    8.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6353    7.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5313    8.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5313    9.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6353    9.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0637    8.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6759   10.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7396   10.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6295   10.8143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6295    9.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9016    7.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0636    7.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3694    7.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2075    8.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6353    6.5445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4734    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  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  1  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  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
  8 23  1  0  0  0  0
 14 25  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060036

> <COMMON_NAME>
Neobanone

> <SYSTEMATIC_NAME>
(6aS)-6abeta,13a-Dihydro-2,3,13abeta-trimethoxy[1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one

> <FORMULA>
C21H18O7

> <MASS>
382.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12a-Methoxyerosone

> <INCHI_KEY>
DGLSPEHHYIIOPE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O7/c1-23-17-7-13-16(9-18(17)24-2)27-10-19-21(13,25-3)20(22)12-6-11-4-5-26-14(11)8-15(12)28-19/h4-9,19H,10H2,1-3H3

> <SMILES>
C12OC=CC1=CC1C(=O)C3(OC)C4=C(OCC3OC=1C=2)C=C(OC)C(OC)=C4

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166651

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257409

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$