LMPK12120153
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.2651    7.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2651    6.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9760    6.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6870    6.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6870    7.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9760    7.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    6.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1089    6.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8195    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5302    6.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2472    6.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9641    6.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9641    7.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2472    7.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5302    7.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    5.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9760    5.2443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5541    6.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5541    5.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6751    7.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5882    7.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120153

> <COMMON_NAME>
Kukulkanin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VSQPLPYTWAWJLY-WEVVVXLNSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-21-12-6-3-11(4-7-12)5-9-14(18)13-8-10-15(19)17(22-2)16(13)20/h3-10,19-20H,1-2H3/b9-5+

> <SMILES>
C1(O)=CC=C(C(=O)/C=C/C2C=CC(OC)=CC=2)C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185639

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6439186

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$