LMPK12020256
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.8839    7.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8839    6.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2657    6.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2657    7.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    8.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9566    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6475    6.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6475    7.7541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9566    8.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3383    8.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0425    7.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7467    8.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7467    8.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0425    9.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3383    8.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    8.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8839    9.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8839   10.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930   10.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748   10.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8839   10.9452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    5.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    5.2475    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  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 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 11  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020256

> <COMMON_NAME>
Nitenin

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H28O4

> <MASS>
356.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LUGSEMDQUBBXEJ-SFHVURJKSA-N

> <INCHI>
InChI=1S/C22H28O4/c1-22(2,23)13-12-17-20(25-4)14-19(24-3)16-10-11-18(26-21(16)17)15-8-6-5-7-9-15/h5-9,14,18,23H,10-13H2,1-4H3/t18-/m0/s1

> <SMILES>
C1(OC)=C(CCC(O)(C)C)C2O[C@H](C3C=CC=CC=3)CCC=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178223

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257187

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$