LMPK12120056
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0  0  0  0  0  0  0  0999 V2000
   14.6250    5.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4007    6.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4007    7.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250    7.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    7.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    6.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0203    7.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1597    5.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3931    6.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6666    5.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9593    6.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6666    5.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9593    7.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1596    7.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600    7.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600    6.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1596    5.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7623    7.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1596    5.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7003    5.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0332    6.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2990    5.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2990    5.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9645    5.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.0449    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
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
> <LM_ID>
LMPK12120056

> <COMMON_NAME>
Xanthoangelol C

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O5

> <MASS>
366.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SXDGLCCGJJGJRY-FEUCYYSJSA-N

> <INCHI>
InChI=1S/C22H22O5/c1-15(3-2-14-23)4-10-18-21(26)13-11-19(22(18)27)20(25)12-7-16-5-8-17(24)9-6-16/h4-9,11-14,24,26-27H,2-3,10H2,1H3/b12-7+,15-4+

> <SMILES>
C1=C(/C=C/C(=O)C2C(O)=C(C/C=C(/CCC=O)\C)C(O)=CC=2)C=CC(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186626

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15731056

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$