LMPK12112779
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.2509    7.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2509    6.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473    6.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6438    6.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6438    7.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473    7.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3403    6.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0368    6.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0368    7.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3403    7.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3403    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7332    7.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4430    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1530    7.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1530    8.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4431    8.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7332    8.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8495    8.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8495    7.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4431    9.6939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7332    6.0518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8175    6.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112779

> <COMMON_NAME>
Annulatin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O8

> <MASS>
332.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XWTLYULBWZQAAZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O8/c1-23-16-14(22)12-8(18)4-7(17)5-11(12)24-15(16)6-2-9(19)13(21)10(20)3-6/h2-5,17-21H,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193268

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259709

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$