LMPK12112854
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.4417    7.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4533    6.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1713    6.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8776    6.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8658    7.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1478    7.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5955    6.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3016    6.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2900    7.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    7.7348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6071    5.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9963    7.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7279    7.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4477    7.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4358    8.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7039    9.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9845    8.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1830    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1421    9.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7236    7.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1657    7.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8721    7.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5899    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2963    7.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6016    6.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3080    6.9937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0196    6.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7469    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6881    6.4964    0.0000 C   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  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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112854

> <COMMON_NAME>
Aliarin

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H24O8

> <MASS>
416.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AMAMGOYSZHKBTQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O8/c1-22(2,27)8-7-11-9-12(5-6-13(11)23)19-21(29-4)18(26)16-15(30-19)10-14(24)20(28-3)17(16)25/h5-6,9-10,23-25,27H,7-8H2,1-4H3

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=C(CCC(O)(C)C)C=3)=C(OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259767

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$