LMPK12111648
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.0239    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0239    7.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8886    7.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7533    7.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7533    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8886    9.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6182    7.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4829    7.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4829    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6182    9.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6182    6.2802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3474    9.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2287    8.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1101    9.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1101   10.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2287   10.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3474   10.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8886   10.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0239   10.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1590   10.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1590    9.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.5536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3474    7.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7531   10.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6404   10.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5276   10.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5276   11.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6404   12.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7531   11.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8886    6.0606    0.0000 O   0  0  0  0  0  0  0  0  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
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  2  0  0  0  0
  8 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
  3 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111648

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone

> <FORMULA>
C24H16O6

> <MASS>
400.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SXMQPTBFMABSHL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H16O6/c25-16-12-17-19(15(11-18(26)29-17)13-7-3-1-4-8-13)24-20(16)21(27)22(28)23(30-24)14-9-5-2-6-10-14/h1-10,12,15,25,28H,11H2

> <SMILES>
C12OC(=O)CC(C3C=CC=CC=3)C=1C1OC(C3C=CC=CC=3)=C(O)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258733

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 164273

> <CITATION>
-

$$$$