LMPK12110618
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.5427    8.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5427    7.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3528    7.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1630    7.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1630    8.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3528    9.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9733    7.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7833    7.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7833    8.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9733    9.1669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9733    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5935    9.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4192    8.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2448    9.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2448   10.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4192   10.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5935   10.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3528    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4192   11.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5935    7.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8546    8.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0550    8.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0550    7.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0550   10.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0954    9.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.1669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  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
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
  8 21  1  0  0  0  0
  1 27  1  0  0  0  0
 15 25  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110618

> <COMMON_NAME>
Apuleitrin

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

> <FORMULA>
C19H18O9

> <MASS>
390.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3',5,6-trihydroxy-3,4',5',7-tetramethoxyflavone

> <INCHI_KEY>
DTODSGVQMWBBNE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O9/c1-24-11-7-10-13(15(22)14(11)21)16(23)19(27-4)17(28-10)8-5-9(20)18(26-3)12(6-8)25-2/h5-7,20-22H,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196365

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4277185

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53829

> <CITATION>
-

$$$$