LMPK12060055
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
    6.8139    9.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8139    8.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736    7.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5334    8.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5334    9.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736    9.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3930    7.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2528    8.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2528    9.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3930    9.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1122    7.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1122    6.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0313    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9506    6.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9506    7.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0313    8.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1122    9.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3930    6.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0413    9.1415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2528    7.1631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7762    8.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736    6.7383    0.0000 O   0  0  0  0  0  0  0  0  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  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
  9 17  1  0  0  0  0
  7 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 17  1  0  0  0  0
  8 20  1  0  0  0  0
 21  1  1  0  0  0  0
 15 22  1  0  0  0  0
  3 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060055

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(-)-4,9,11,12a-Tetrahydroxyrotenone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TVQJMSRBMUCDHT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c17-7-4-10(19)13-11(5-7)23-12-6-22-14-8(2-1-3-9(14)18)16(12,21)15(13)20/h1-5,12,17-19,21H,6H2

> <SMILES>
C1(O)=CC2OC3COC4C(=CC=CC=4O)C3(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257417

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 122400

> <CITATION>
-

$$$$