LMPK12140179
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.8784    6.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638    6.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2491    6.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2491    7.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8784    7.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9345    6.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    6.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    7.5212    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9345    7.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3054    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9345    5.5427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0084    7.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7115    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7115    8.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0085    9.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3054    8.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638    8.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8784    9.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8784    9.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930   10.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638   10.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638    5.5427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5039    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.9169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 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
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  2 23  1  0  0  0  0
  6 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140179

> <COMMON_NAME>
Candidone

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H24O4

> <MASS>
352.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JYESOAFLKFHYHP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3

> <SMILES>
C1C(OC)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14033978

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$