LMPK12060026
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    7.8308   10.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8308    9.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656    9.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5003    9.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5003   10.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656   11.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3351    9.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1699    9.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1699   10.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3351   11.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0043    9.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0043    8.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8968    7.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7893    8.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7893    9.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8968    9.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3351    8.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9373   10.6351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0045   11.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4651   12.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5066   12.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1145   11.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0246   12.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5066   13.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0045   12.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656    8.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8968    6.6798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9689    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6241    7.6769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9236    8.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 28 29  1  0  0  0  0
 30 31  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  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
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 19 26  1  0  0  0  0
  3 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060026

> <COMMON_NAME>
Villosin

> <SYSTEMATIC_NAME>
(2R,6aalpha)-1,2,12,12aalpha-Tetrahydro-5,12alpha-dihydroxy-8,9-dimethoxy-2alpha-(1-methylvinyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one

> <FORMULA>
C23H22O8

> <MASS>
426.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-Hydroxysumatrol

> <INCHI_KEY>
RMAYNNFCPNGTQW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H22O8/c1-9(2)13-6-11-14(29-13)7-12(24)19-20(25)18-10-5-16(27-3)17(28-4)8-15(10)30-23(26)22(18)31-21(11)19/h5,7-8,13,18,22-24,26H,1,6H2,2-4H3

> <SMILES>
C12OC(C(C)=C)CC=1C1OC3C(O)OC4=C(C=C(OC)C(OC)=C4)C3C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14427376

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62125

> <CITATION>
-

$$$$