LMPK12110620
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.5377    9.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5377    8.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1474    8.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1474    9.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    9.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9522    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7572    8.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7572    9.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9522    9.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9522    6.9574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5620    9.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3824    9.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2026    9.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2026   10.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3824   11.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5620   10.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3824   12.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0075   11.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0413   10.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    6.9574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3761    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5620    7.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5620    6.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0075    9.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2607   10.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  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
  2 18  1  0  0  0  0
 16 19  1  0  0  0  0
 14 28  1  0  0  0  0
  8 26  1  0  0  0  0
  3 24  1  0  0  0  0
  1 22  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110620

> <COMMON_NAME>
Apuleirin

> <SYSTEMATIC_NAME>
6-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one

> <FORMULA>
C20H20O9

> <MASS>
404.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PUQUTQSJJJMRPS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O9/c1-24-12-8-11-14(19(27-4)15(12)22)16(23)20(28-5)17(29-11)9-6-10(21)18(26-3)13(7-9)25-2/h6-8,21-22H,1-5H3

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(OC)=C(OC)C=3)=C(OC)C(=O)C=2C(OC)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186068

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258047

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53829

> <CITATION>
-

$$$$