LMPK12140553
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.2588    7.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2588    6.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632    6.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677    6.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677    7.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3721    6.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0765    6.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0765    7.5558    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3721    7.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7809    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4988    7.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2168    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2168    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4988    9.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7809    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3721    5.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9212    9.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632    8.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587    9.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587    9.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632   10.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5543   10.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632    5.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8680    5.0000    0.0000 C   0  0  0  0  0  0  0  0  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  0  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
  7 17  2  0  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  6 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
  3 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140553

> <COMMON_NAME>
Isoxanthohumol(Sophora)

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YKGCBLWILMDSAV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3

> <SMILES>
C1(O)=C(C/C=C(/C)\C)C2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
171798

> <ABBREVIATION>
-

> <CAYMAN_ID>
23233

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
513197

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$