LMPK12111303
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2495    7.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2495    6.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9445    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6395    6.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6395    7.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9445    7.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3345    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0295    6.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0295    7.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3345    7.4077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3345    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7245    7.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1412    7.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1412    8.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328    8.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7245    8.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9445    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328    6.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9445    8.2102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0264    8.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 13 20  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111303

> <COMMON_NAME>
Scutevulin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCBMYKIKEHGYAR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-4-2-3-5-9(8)17/h2-7,17-18,20H,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321205

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$