LMPK12113290
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.0825    8.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0824    7.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8701    7.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6575    7.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    8.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8701    9.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4453    7.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2328    7.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2329    8.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4453    9.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4453    6.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0207    9.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8233    8.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6260    9.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6260   10.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8235   10.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0207   10.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8701    6.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    7.4764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4138    8.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6398    9.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.4764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8701   10.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0963   10.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2948    9.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2948   10.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2329   10.6774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2329   12.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  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
 29 30  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
  3 18  1  0  0  0  0
  6 25  1  0  0  0  0
  1 27  1  0  0  0  0
 17 29  1  0  0  0  0
 14 21  1  0  0  0  0
  2 23  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113290

> <COMMON_NAME>
Grantioidinin

> <SYSTEMATIC_NAME>
5-Hydroxy-3,6,7,8,2',5'-hexamethoxyflavone

> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(2,5-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
YLDLSFKRVJHNKM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O9/c1-24-10-7-8-12(25-2)11(9-10)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C(OC)=CC=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14861189

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2052343

> <CITATION>
-

$$$$