LMPK12113085
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2501    7.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2501    6.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    5.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6416    6.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6416    7.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    7.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375    5.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0332    6.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0332    7.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374    7.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7290    7.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4381    7.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1472    7.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1472    8.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4381    8.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7290    8.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7290    5.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    8.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0290    8.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113085

> <COMMON_NAME>
Pityrogrammin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YFIWRRATEOOANM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-8-11(18)10-13(20)14(21)15(9-6-4-3-5-7-9)23-16(10)17(22-2)12(8)19/h3-7,18-19,21H,1-2H3

> <SMILES>
C1(O)=C(OC)C2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(O)=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14583638

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$