LMPK12130065
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    8.6961    8.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6961    9.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8176    9.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392    9.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392    8.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8176    7.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6610    7.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2572    8.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6610    9.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8574    7.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0444    9.4817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7932    7.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8099    7.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3026    6.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2880    6.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7808    7.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2880    8.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3026    8.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7649    7.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7800    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130065

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone

> <FORMULA>
C15H12O6

> <MASS>
288.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LCHNFNNYVOUXRN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H12O6/c16-9-2-3-10-13(6-9)21-15(20,14(10)19)7-8-1-4-11(17)12(18)5-8/h1-6,16-18,20H,7H2

> <SMILES>
C12C(=O)C(CC3C=CC(O)=C(O)C=3)(O)OC=1C=C(O)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607788

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 269721

> <CITATION>
-

$$$$