LMPK12140290
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.8432    6.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556    5.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2679    6.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2679    7.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556    7.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8432    7.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9803    5.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6925    6.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6925    7.0555    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9803    7.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4041    7.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9803    5.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    7.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8656    7.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8656    8.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    8.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4041    8.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5952    8.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1316    7.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1316    5.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4200    6.2330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7100    5.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7100    5.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4200    7.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556    8.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8439    8.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8439    9.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1323    9.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556    9.9319    0.0000 C   0  0  0  0  0  0  0  0  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  6  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
  2 18  1  0  0  0  0
 15 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140290

> <COMMON_NAME>
Lupiniol A1

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O6

> <MASS>
424.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RQNQKHOOFUCYRD-QWAKEFERSA-N

> <INCHI>
InChI=1S/C25H28O6/c1-13(2)5-10-17-23(29)18(11-19(27)14(3)4)24(30)22-20(28)12-21(31-25(17)22)15-6-8-16(26)9-7-15/h5-9,19,21,26-27,29-30H,3,10-12H2,1-2,4H3/t19?,21-/m0/s1

> <SMILES>
C1(CC(O)C(C)=C)C(O)=C(C/C=C(\C)/C)C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197093

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607929

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$