LMPK12112683
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.3497    7.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3497    6.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0485    6.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7473    6.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7473    7.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0485    8.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4462    6.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1450    6.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1450    7.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4462    8.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4462    5.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8438    8.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5560    7.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2681    8.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2681    8.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5560    9.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8438    8.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6509    8.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6509    6.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520    6.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2532    6.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2532    5.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0485    5.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9669    9.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8438    6.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8438    5.2397    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
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18  1  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  3 24  1  0  0  0  0
 15 25  1  0  0  0  0
 21 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112683

> <COMMON_NAME>
Topazolin hydrate

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O7

> <MASS>
386.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KEKIPSWUQGMGCC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O7/c1-21(2,26)9-8-13-14(23)10-15-16(17(13)24)18(25)20(27-3)19(28-15)11-4-6-12(22)7-5-11/h4-7,10,22-24,26H,8-9H2,1-3H3

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1CCC(O)(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197173

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259652

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$