LMPK12112546
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2576    7.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2576    6.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9608    6.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6641    6.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6641    7.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9608    8.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673    6.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0705    6.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0705    7.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673    8.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673    5.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7737    8.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4905    7.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2072    8.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2072    9.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4905    9.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7737    9.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7737    6.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4905   10.2584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9104    9.4386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9608    5.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8640    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112546

> <COMMON_NAME>
Azaleatin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RJBAXROZAXAEEM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3

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

> <KEGG_ID>
C10022

> <HMDB_ID>
-

> <CHEBI_ID>
2945

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281604

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$