LMPK12113290
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.8431    7.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8430    6.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4929    6.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1425    6.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1427    7.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4929    7.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924    6.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4421    6.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4422    7.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924    7.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924    5.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0921    7.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7543    7.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4165    7.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4165    8.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7544    8.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0921    8.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4929    5.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0920    6.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0920    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0664    7.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0779    7.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4929    8.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5045    9.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    7.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    8.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4422    8.8089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4422    9.9770    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>


> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <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

> <CITATION>
-

$$$$