LMPK12120078
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
   13.8226   10.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8226    9.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6828    8.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5432    9.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5432   10.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6828   10.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8786    9.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7389    8.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0186    8.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1512    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0186    7.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1512   10.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2964   10.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4418   10.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4418    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2964    8.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4035   10.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    8.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    7.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4418    7.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2964    7.6108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7572    6.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1987    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5874   10.5714    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 17  5  1  0  0  0  0
 15 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 16  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120078

> <COMMON_NAME>
Bavachromanol

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O5

> <MASS>
340.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UGEVDAKDRYGXKU-WEVVVXLNSA-N

> <INCHI>
InChI=1S/C20H20O5/c1-20(2)18(24)11-15-17(23)10-8-14(19(15)25-20)16(22)9-5-12-3-6-13(21)7-4-12/h3-10,18,21,23-24H,11H2,1-2H3/b9-5+

> <SMILES>
C1=CC(O)=CC=C1/C=C/C(=O)C1C2OC(C)(C)C(O)CC=2C(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321790

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
429560; 33090

> <CITATION>
-

$$$$