LMPK12100022
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.6267   10.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4844   11.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   10.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417    9.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2309    9.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1200    9.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1200   10.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2309   11.1086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6272    9.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4844    9.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2309    8.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3786    7.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3786    6.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2309    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0834    6.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0834    7.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0087   11.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4844    8.1051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4844   12.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6267   12.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7690   12.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7690   11.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8381   11.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7690   13.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7717    9.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7718    8.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9161    9.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9877    9.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.6043    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
 10 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  9 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100022

> <COMMON_NAME>
6-Butyryl-5-hydroxy-4-phenylseselin

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H22O5

> <MASS>
390.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HTYHJXFUSAYYEQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H22O5/c1-4-8-17(25)20-21(27)19-16(14-9-6-5-7-10-14)13-18(26)28-22(19)15-11-12-24(2,3)29-23(15)20/h5-7,9-13,27H,4,8H2,1-3H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(=O)C=C(C3C=CC=CC=3)C=1C(O)=C2C(CCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186404

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257540

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 469946

> <CITATION>
-

$$$$