LMPK12140180
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8794    6.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5657    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2521    6.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2521    7.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5657    8.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8794    7.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9384    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6247    6.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6247    7.7723    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9384    8.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3111    8.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9384    5.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0152    7.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    8.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    8.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0152    9.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3111    8.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5657    8.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8795    9.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8795   10.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932   10.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5657   10.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8795   10.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5657    5.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5072    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  2 26  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140180

> <COMMON_NAME>
Quercetol C

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H24O5

> <MASS>
368.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DKYFESWWIPJYTA-ZHACJKMWSA-N

> <INCHI>
InChI=1S/C22H24O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-11,13,17,24H,12H2,1-4H3/b11-10+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197162

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607876

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$