LMPK12113173
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.1603    9.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603    8.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9000    8.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6397    8.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6397    9.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9000   10.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4205    8.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809    8.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9412    8.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9412    7.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809    7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4205    7.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2014    8.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    8.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    7.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2014    7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809    6.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7220    8.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1148    7.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2617   10.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2014    6.4607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2014    9.5704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625    9.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9664    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3751    6.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1148    6.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8546    6.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    6.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7220    6.4607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    5.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 20 25  1  0  0  0  0
 19 27  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113173

> <COMMON_NAME>
Tambulin 3,5-diacetate

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O9

> <MASS>
428.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,5-Diacetyltambulin

> <INCHI_KEY>
AMJOOTWKPBPRPW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O9/c1-11(23)29-15-10-16(27-4)20(28-5)21-17(15)18(25)22(30-12(2)24)19(31-21)13-6-8-14(26-3)9-7-13/h6-10H,1-5H3

> <SMILES>
C1C=C(OC)C=CC=1C1=C(OC(C)=O)C(=O)C2C(OC(C)=O)=CC(OC)=C(OC)C=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191967

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5316626

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$