LMPK12120207
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.0226    7.7377    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0226    6.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7546    6.4698    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4866    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4866    7.7377    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7546    8.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7546    9.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0226    9.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2905    9.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2905    8.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2186    8.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2186    9.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4866    9.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    7.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6827    8.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6827    9.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    9.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7546    9.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3348    9.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    7.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4530    7.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4530    7.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1791    8.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9095    7.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6140    8.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3460    7.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0780    8.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0780    8.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3460    9.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6140    8.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0808    5.9047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2644    5.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4682    5.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6905    5.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2679    6.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4226    6.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4226    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2679    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 11 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
  7 18  2  0  0  0  0
 16 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120207

> <COMMON_NAME>
Kurzichalcolactone

> <SYSTEMATIC_NAME>


> <FORMULA>
C32H30O7

> <MASS>
526.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GHCSEVTXYYGHAC-XWUXPZLFSA-N

> <INCHI>
InChI=1S/C32H30O7/c33-25(15-14-21-8-3-1-4-9-21)30-26(34)19-27-29(31(30)36)23-18-24(12-7-13-28(35)38-27)39-32(37,20-23)17-16-22-10-5-2-6-11-22/h1-6,8-11,14-17,19,23-24,34,36-37H,7,12-13,18,20H2/b15-14+,17-16?

> <SMILES>
C12CCCC(=O)OC3C=C(O)C(C(/C=C/C4C=CC=CC=4)=O)=C(O)C=3C(C1)CC(C=CC1C=CC=CC=1)(O)O2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185200

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607590

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$